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1
+ data_283D
2
+ #
3
+ _entry.id 283D
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.389
7
+ _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8
+ #
9
+ loop_
10
+ _database_2.database_id
11
+ _database_2.database_code
12
+ _database_2.pdbx_database_accession
13
+ _database_2.pdbx_DOI
14
+ PDB 283D pdb_0000283d 10.2210/pdb283d/pdb
15
+ RCSB URL051 ? ?
16
+ WWPDB D_1000177695 ? ?
17
+ #
18
+ loop_
19
+ _pdbx_audit_revision_history.ordinal
20
+ _pdbx_audit_revision_history.data_content_type
21
+ _pdbx_audit_revision_history.major_revision
22
+ _pdbx_audit_revision_history.minor_revision
23
+ _pdbx_audit_revision_history.revision_date
24
+ 1 'Structure model' 1 0 1996-09-30
25
+ 2 'Structure model' 1 1 2008-05-22
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 1 3 2024-02-14
28
+ 5 'Structure model' 1 4 2024-04-03
29
+ #
30
+ _pdbx_audit_revision_details.ordinal 1
31
+ _pdbx_audit_revision_details.revision_ordinal 1
32
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
33
+ _pdbx_audit_revision_details.provider repository
34
+ _pdbx_audit_revision_details.type 'Initial release'
35
+ _pdbx_audit_revision_details.description ?
36
+ _pdbx_audit_revision_details.details ?
37
+ #
38
+ loop_
39
+ _pdbx_audit_revision_group.ordinal
40
+ _pdbx_audit_revision_group.revision_ordinal
41
+ _pdbx_audit_revision_group.data_content_type
42
+ _pdbx_audit_revision_group.group
43
+ 1 2 'Structure model' 'Version format compliance'
44
+ 2 3 'Structure model' 'Version format compliance'
45
+ 3 4 'Structure model' 'Data collection'
46
+ 4 4 'Structure model' 'Database references'
47
+ 5 4 'Structure model' 'Derived calculations'
48
+ 6 5 'Structure model' 'Refinement description'
49
+ #
50
+ loop_
51
+ _pdbx_audit_revision_category.ordinal
52
+ _pdbx_audit_revision_category.revision_ordinal
53
+ _pdbx_audit_revision_category.data_content_type
54
+ _pdbx_audit_revision_category.category
55
+ 1 4 'Structure model' chem_comp_atom
56
+ 2 4 'Structure model' chem_comp_bond
57
+ 3 4 'Structure model' database_2
58
+ 4 4 'Structure model' struct_conn
59
+ 5 4 'Structure model' struct_site
60
+ 6 5 'Structure model' pdbx_initial_refinement_model
61
+ #
62
+ loop_
63
+ _pdbx_audit_revision_item.ordinal
64
+ _pdbx_audit_revision_item.revision_ordinal
65
+ _pdbx_audit_revision_item.data_content_type
66
+ _pdbx_audit_revision_item.item
67
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
68
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
69
+ 3 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id'
70
+ 4 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
71
+ 5 4 'Structure model' '_struct_conn.ptnr1_label_asym_id'
72
+ 6 4 'Structure model' '_struct_conn.ptnr1_label_atom_id'
73
+ 7 4 'Structure model' '_struct_conn.ptnr1_label_comp_id'
74
+ 8 4 'Structure model' '_struct_conn.ptnr1_label_seq_id'
75
+ 9 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id'
76
+ 10 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
77
+ 11 4 'Structure model' '_struct_conn.ptnr2_label_asym_id'
78
+ 12 4 'Structure model' '_struct_conn.ptnr2_label_atom_id'
79
+ 13 4 'Structure model' '_struct_conn.ptnr2_label_comp_id'
80
+ 14 4 'Structure model' '_struct_conn.ptnr2_label_seq_id'
81
+ 15 4 'Structure model' '_struct_site.pdbx_auth_asym_id'
82
+ 16 4 'Structure model' '_struct_site.pdbx_auth_comp_id'
83
+ 17 4 'Structure model' '_struct_site.pdbx_auth_seq_id'
84
+ #
85
+ _pdbx_database_status.status_code REL
86
+ _pdbx_database_status.entry_id 283D
87
+ _pdbx_database_status.recvd_initial_deposition_date 1996-09-03
88
+ _pdbx_database_status.deposit_site NDB
89
+ _pdbx_database_status.process_site NDB
90
+ _pdbx_database_status.SG_entry .
91
+ _pdbx_database_status.pdb_format_compatible Y
92
+ _pdbx_database_status.status_code_mr ?
93
+ _pdbx_database_status.status_code_sf ?
94
+ _pdbx_database_status.status_code_cs ?
95
+ _pdbx_database_status.status_code_nmr_data ?
96
+ _pdbx_database_status.methods_development_category ?
97
+ #
98
+ loop_
99
+ _audit_author.name
100
+ _audit_author.pdbx_ordinal
101
+ 'Baeyens, K.J.' 1
102
+ 'De Bondt, H.L.' 2
103
+ 'Pardi, A.' 3
104
+ 'Holbrook, S.R.' 4
105
+ #
106
+ _citation.id primary
107
+ _citation.title
108
+ 'A curved RNA helix incorporating an internal loop with G.A and A.A non-Watson-Crick base pairing.'
109
+ _citation.journal_abbrev Proc.Natl.Acad.Sci.USA
110
+ _citation.journal_volume 93
111
+ _citation.page_first 12851
112
+ _citation.page_last 12855
113
+ _citation.year 1996
114
+ _citation.journal_id_ASTM PNASA6
115
+ _citation.country US
116
+ _citation.journal_id_ISSN 0027-8424
117
+ _citation.journal_id_CSD 0040
118
+ _citation.book_publisher ?
119
+ _citation.pdbx_database_id_PubMed 8917508
120
+ _citation.pdbx_database_id_DOI 10.1073/pnas.93.23.12851
121
+ #
122
+ loop_
123
+ _citation_author.citation_id
124
+ _citation_author.name
125
+ _citation_author.ordinal
126
+ _citation_author.identifier_ORCID
127
+ primary 'Baeyens, K.J.' 1 ?
128
+ primary 'De Bondt, H.L.' 2 ?
129
+ primary 'Pardi, A.' 3 ?
130
+ primary 'Holbrook, S.R.' 4 ?
131
+ #
132
+ loop_
133
+ _entity.id
134
+ _entity.type
135
+ _entity.src_method
136
+ _entity.pdbx_description
137
+ _entity.formula_weight
138
+ _entity.pdbx_number_of_molecules
139
+ _entity.pdbx_ec
140
+ _entity.pdbx_mutation
141
+ _entity.pdbx_fragment
142
+ _entity.details
143
+ 1 polymer man
144
+ ;RNA (5'-R(*GP*GP*CP*CP*GP*AP*AP*AP*GP*GP*CP*C)-3')
145
+ ;
146
+ 3889.416 1 ? ? ? ?
147
+ 2 non-polymer syn 'MANGANESE (II) ION' 54.938 1 ? ? ? ?
148
+ 3 water nat water 18.015 18 ? ? ? ?
149
+ #
150
+ _entity_poly.entity_id 1
151
+ _entity_poly.type polyribonucleotide
152
+ _entity_poly.nstd_linkage no
153
+ _entity_poly.nstd_monomer no
154
+ _entity_poly.pdbx_seq_one_letter_code GGCCGAAAGGCC
155
+ _entity_poly.pdbx_seq_one_letter_code_can GGCCGAAAGGCC
156
+ _entity_poly.pdbx_strand_id A
157
+ _entity_poly.pdbx_target_identifier ?
158
+ #
159
+ loop_
160
+ _pdbx_entity_nonpoly.entity_id
161
+ _pdbx_entity_nonpoly.name
162
+ _pdbx_entity_nonpoly.comp_id
163
+ 2 'MANGANESE (II) ION' MN
164
+ 3 water HOH
165
+ #
166
+ loop_
167
+ _entity_poly_seq.entity_id
168
+ _entity_poly_seq.num
169
+ _entity_poly_seq.mon_id
170
+ _entity_poly_seq.hetero
171
+ 1 1 G n
172
+ 1 2 G n
173
+ 1 3 C n
174
+ 1 4 C n
175
+ 1 5 G n
176
+ 1 6 A n
177
+ 1 7 A n
178
+ 1 8 A n
179
+ 1 9 G n
180
+ 1 10 G n
181
+ 1 11 C n
182
+ 1 12 C n
183
+ #
184
+ _entity_src_gen.entity_id 1
185
+ _entity_src_gen.pdbx_src_id 1
186
+ _entity_src_gen.pdbx_alt_source_flag sample
187
+ _entity_src_gen.pdbx_seq_type ?
188
+ _entity_src_gen.pdbx_beg_seq_num ?
189
+ _entity_src_gen.pdbx_end_seq_num ?
190
+ _entity_src_gen.gene_src_common_name ?
191
+ _entity_src_gen.gene_src_genus ?
192
+ _entity_src_gen.pdbx_gene_src_gene ?
193
+ _entity_src_gen.gene_src_species ?
194
+ _entity_src_gen.gene_src_strain ?
195
+ _entity_src_gen.gene_src_tissue ?
196
+ _entity_src_gen.gene_src_tissue_fraction ?
197
+ _entity_src_gen.gene_src_details ?
198
+ _entity_src_gen.pdbx_gene_src_fragment ?
199
+ _entity_src_gen.pdbx_gene_src_scientific_name ?
200
+ _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id ?
201
+ _entity_src_gen.pdbx_gene_src_variant ?
202
+ _entity_src_gen.pdbx_gene_src_cell_line ?
203
+ _entity_src_gen.pdbx_gene_src_atcc ?
204
+ _entity_src_gen.pdbx_gene_src_organ ?
205
+ _entity_src_gen.pdbx_gene_src_organelle ?
206
+ _entity_src_gen.pdbx_gene_src_cell ?
207
+ _entity_src_gen.pdbx_gene_src_cellular_location ?
208
+ _entity_src_gen.host_org_common_name ?
209
+ _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21'
210
+ _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 511693
211
+ _entity_src_gen.host_org_genus Escherichia
212
+ _entity_src_gen.pdbx_host_org_gene ?
213
+ _entity_src_gen.pdbx_host_org_organ ?
214
+ _entity_src_gen.host_org_species 'Escherichia coli'
215
+ _entity_src_gen.pdbx_host_org_tissue ?
216
+ _entity_src_gen.pdbx_host_org_tissue_fraction ?
217
+ _entity_src_gen.pdbx_host_org_strain BL21
218
+ _entity_src_gen.pdbx_host_org_variant ?
219
+ _entity_src_gen.pdbx_host_org_cell_line ?
220
+ _entity_src_gen.pdbx_host_org_atcc ?
221
+ _entity_src_gen.pdbx_host_org_culture_collection ?
222
+ _entity_src_gen.pdbx_host_org_cell ?
223
+ _entity_src_gen.pdbx_host_org_organelle ?
224
+ _entity_src_gen.pdbx_host_org_cellular_location ?
225
+ _entity_src_gen.pdbx_host_org_vector_type ?
226
+ _entity_src_gen.pdbx_host_org_vector ?
227
+ _entity_src_gen.host_org_details ?
228
+ _entity_src_gen.expression_system_id ?
229
+ _entity_src_gen.plasmid_name PAR1219
230
+ _entity_src_gen.plasmid_details ?
231
+ _entity_src_gen.pdbx_description
232
+ 'THE DODECAMER WAS PREPARED BY TRANSCRIPTION WITH T7 RNA POLYMERASE FROM A SINGLE STRANDED DNA TEMPLATE.'
233
+ #
234
+ loop_
235
+ _chem_comp.id
236
+ _chem_comp.type
237
+ _chem_comp.mon_nstd_flag
238
+ _chem_comp.name
239
+ _chem_comp.pdbx_synonyms
240
+ _chem_comp.formula
241
+ _chem_comp.formula_weight
242
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
243
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
244
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
245
+ HOH non-polymer . WATER ? 'H2 O' 18.015
246
+ MN non-polymer . 'MANGANESE (II) ION' ? 'Mn 2' 54.938
247
+ #
248
+ loop_
249
+ _pdbx_poly_seq_scheme.asym_id
250
+ _pdbx_poly_seq_scheme.entity_id
251
+ _pdbx_poly_seq_scheme.seq_id
252
+ _pdbx_poly_seq_scheme.mon_id
253
+ _pdbx_poly_seq_scheme.ndb_seq_num
254
+ _pdbx_poly_seq_scheme.pdb_seq_num
255
+ _pdbx_poly_seq_scheme.auth_seq_num
256
+ _pdbx_poly_seq_scheme.pdb_mon_id
257
+ _pdbx_poly_seq_scheme.auth_mon_id
258
+ _pdbx_poly_seq_scheme.pdb_strand_id
259
+ _pdbx_poly_seq_scheme.pdb_ins_code
260
+ _pdbx_poly_seq_scheme.hetero
261
+ A 1 1 G 1 1 1 G G A . n
262
+ A 1 2 G 2 2 2 G G A . n
263
+ A 1 3 C 3 3 3 C C A . n
264
+ A 1 4 C 4 4 4 C C A . n
265
+ A 1 5 G 5 5 5 G G A . n
266
+ A 1 6 A 6 6 6 A A A . n
267
+ A 1 7 A 7 7 7 A A A . n
268
+ A 1 8 A 8 8 8 A A A . n
269
+ A 1 9 G 9 9 9 G G A . n
270
+ A 1 10 G 10 10 10 G G A . n
271
+ A 1 11 C 11 11 11 C C A . n
272
+ A 1 12 C 12 12 12 C C A . n
273
+ #
274
+ loop_
275
+ _pdbx_nonpoly_scheme.asym_id
276
+ _pdbx_nonpoly_scheme.entity_id
277
+ _pdbx_nonpoly_scheme.mon_id
278
+ _pdbx_nonpoly_scheme.ndb_seq_num
279
+ _pdbx_nonpoly_scheme.pdb_seq_num
280
+ _pdbx_nonpoly_scheme.auth_seq_num
281
+ _pdbx_nonpoly_scheme.pdb_mon_id
282
+ _pdbx_nonpoly_scheme.auth_mon_id
283
+ _pdbx_nonpoly_scheme.pdb_strand_id
284
+ _pdbx_nonpoly_scheme.pdb_ins_code
285
+ B 2 MN 1 13 13 MN MN A .
286
+ C 3 HOH 1 14 14 HOH HOH A .
287
+ C 3 HOH 2 15 15 HOH HOH A .
288
+ C 3 HOH 3 16 16 HOH HOH A .
289
+ C 3 HOH 4 17 17 HOH HOH A .
290
+ C 3 HOH 5 18 18 HOH HOH A .
291
+ C 3 HOH 6 19 19 HOH HOH A .
292
+ C 3 HOH 7 20 20 HOH HOH A .
293
+ C 3 HOH 8 21 21 HOH HOH A .
294
+ C 3 HOH 9 22 22 HOH HOH A .
295
+ C 3 HOH 10 23 23 HOH HOH A .
296
+ C 3 HOH 11 24 24 HOH HOH A .
297
+ C 3 HOH 12 25 25 HOH HOH A .
298
+ C 3 HOH 13 26 26 HOH HOH A .
299
+ C 3 HOH 14 27 27 HOH HOH A .
300
+ C 3 HOH 15 28 28 HOH HOH A .
301
+ C 3 HOH 16 29 29 HOH HOH A .
302
+ C 3 HOH 17 30 30 HOH HOH A .
303
+ C 3 HOH 18 31 31 HOH HOH A .
304
+ #
305
+ loop_
306
+ _software.name
307
+ _software.classification
308
+ _software.version
309
+ _software.citation_id
310
+ _software.pdbx_ordinal
311
+ X-PLOR refinement . ? 1
312
+ R-AXIS 'data reduction' . ? 2
313
+ AMoRE phasing . ? 3
314
+ #
315
+ _cell.entry_id 283D
316
+ _cell.length_a 37.710
317
+ _cell.length_b 37.710
318
+ _cell.length_c 88.300
319
+ _cell.angle_alpha 90.00
320
+ _cell.angle_beta 90.00
321
+ _cell.angle_gamma 120.00
322
+ _cell.Z_PDB 12
323
+ _cell.pdbx_unique_axis ?
324
+ #
325
+ _symmetry.entry_id 283D
326
+ _symmetry.space_group_name_H-M 'P 65 2 2'
327
+ _symmetry.pdbx_full_space_group_name_H-M ?
328
+ _symmetry.cell_setting ?
329
+ _symmetry.Int_Tables_number 179
330
+ #
331
+ _exptl.entry_id 283D
332
+ _exptl.method 'X-RAY DIFFRACTION'
333
+ _exptl.crystals_number 1
334
+ #
335
+ _exptl_crystal.id 1
336
+ _exptl_crystal.density_meas ?
337
+ _exptl_crystal.density_Matthews 2.33
338
+ _exptl_crystal.density_percent_sol 51.2000
339
+ _exptl_crystal.description ?
340
+ #
341
+ _exptl_crystal_grow.crystal_id 1
342
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
343
+ _exptl_crystal_grow.temp ?
344
+ _exptl_crystal_grow.temp_details 'ROOM TEMPERATURE'
345
+ _exptl_crystal_grow.pH 7.50
346
+ _exptl_crystal_grow.pdbx_details 'pH 7.50, VAPOR DIFFUSION, HANGING DROP'
347
+ _exptl_crystal_grow.pdbx_pH_range ?
348
+ #
349
+ loop_
350
+ _exptl_crystal_grow_comp.crystal_id
351
+ _exptl_crystal_grow_comp.id
352
+ _exptl_crystal_grow_comp.sol_id
353
+ _exptl_crystal_grow_comp.name
354
+ _exptl_crystal_grow_comp.volume
355
+ _exptl_crystal_grow_comp.conc
356
+ _exptl_crystal_grow_comp.details
357
+ 1 1 1 WATER ? ? ?
358
+ 1 2 1 'PEG 400' ? ? ?
359
+ 1 3 1 NACL ? ? ?
360
+ 1 4 1 MNCL2 ? ? ?
361
+ 1 5 1 BIS-TRIS-PROPANE_HCL ? ? ?
362
+ #
363
+ _diffrn.id 1
364
+ _diffrn.crystal_id 1
365
+ _diffrn.ambient_temp ?
366
+ _diffrn.ambient_temp_details ?
367
+ #
368
+ _diffrn_detector.diffrn_id 1
369
+ _diffrn_detector.detector 'IMAGE PLATE'
370
+ _diffrn_detector.type MARRESEARCH
371
+ _diffrn_detector.pdbx_collection_date 1992-10-10
372
+ _diffrn_detector.details ?
373
+ #
374
+ _diffrn_radiation.diffrn_id 1
375
+ _diffrn_radiation.wavelength_id 1
376
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
377
+ _diffrn_radiation.monochromator ?
378
+ _diffrn_radiation.pdbx_diffrn_protocol ?
379
+ _diffrn_radiation.pdbx_scattering_type x-ray
380
+ #
381
+ _diffrn_radiation_wavelength.id 1
382
+ _diffrn_radiation_wavelength.wavelength .
383
+ _diffrn_radiation_wavelength.wt 1.0
384
+ #
385
+ _diffrn_source.diffrn_id 1
386
+ _diffrn_source.source SYNCHROTRON
387
+ _diffrn_source.type 'SSRL BEAMLINE BL7-1'
388
+ _diffrn_source.pdbx_synchrotron_site SSRL
389
+ _diffrn_source.pdbx_synchrotron_beamline BL7-1
390
+ _diffrn_source.pdbx_wavelength ?
391
+ _diffrn_source.pdbx_wavelength_list ?
392
+ #
393
+ _reflns.entry_id 283D
394
+ _reflns.observed_criterion_sigma_I 0.000
395
+ _reflns.observed_criterion_sigma_F ?
396
+ _reflns.d_resolution_low 25.000
397
+ _reflns.d_resolution_high 2.300
398
+ _reflns.number_obs 1811
399
+ _reflns.number_all ?
400
+ _reflns.percent_possible_obs 94.300
401
+ _reflns.pdbx_Rmerge_I_obs 0.0745000
402
+ _reflns.pdbx_Rsym_value ?
403
+ _reflns.pdbx_netI_over_sigmaI 2.800
404
+ _reflns.B_iso_Wilson_estimate ?
405
+ _reflns.pdbx_redundancy 2.850
406
+ _reflns.pdbx_diffrn_id 1
407
+ _reflns.pdbx_ordinal 1
408
+ #
409
+ _refine.entry_id 283D
410
+ _refine.ls_number_reflns_obs 1502
411
+ _refine.ls_number_reflns_all ?
412
+ _refine.pdbx_ls_sigma_I ?
413
+ _refine.pdbx_ls_sigma_F 3.000
414
+ _refine.pdbx_data_cutoff_high_absF ?
415
+ _refine.pdbx_data_cutoff_low_absF ?
416
+ _refine.pdbx_data_cutoff_high_rms_absF ?
417
+ _refine.ls_d_res_low 8.000
418
+ _refine.ls_d_res_high 2.300
419
+ _refine.ls_percent_reflns_obs ?
420
+ _refine.ls_R_factor_obs 0.1860000
421
+ _refine.ls_R_factor_all ?
422
+ _refine.ls_R_factor_R_work 0.1860000
423
+ _refine.ls_R_factor_R_free 0.1980000
424
+ _refine.ls_R_factor_R_free_error ?
425
+ _refine.ls_R_factor_R_free_error_details ?
426
+ _refine.ls_percent_reflns_R_free 10.00
427
+ _refine.ls_number_reflns_R_free 138
428
+ _refine.ls_number_parameters ?
429
+ _refine.ls_number_restraints 22
430
+ _refine.occupancy_min ?
431
+ _refine.occupancy_max ?
432
+ _refine.B_iso_mean 23.64
433
+ _refine.aniso_B[1][1] ?
434
+ _refine.aniso_B[2][2] ?
435
+ _refine.aniso_B[3][3] ?
436
+ _refine.aniso_B[1][2] ?
437
+ _refine.aniso_B[1][3] ?
438
+ _refine.aniso_B[2][3] ?
439
+ _refine.solvent_model_details ?
440
+ _refine.solvent_model_param_ksol ?
441
+ _refine.solvent_model_param_bsol ?
442
+ _refine.pdbx_ls_cross_valid_method FREE-R
443
+ _refine.details ?
444
+ _refine.pdbx_starting_model 'STANDARD A-FORM DUPLEX AND ARL048'
445
+ _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
446
+ _refine.pdbx_isotropic_thermal_model ?
447
+ _refine.pdbx_stereochemistry_target_values ?
448
+ _refine.pdbx_stereochem_target_val_spec_case ?
449
+ _refine.pdbx_R_Free_selection_details RANDOM
450
+ _refine.pdbx_overall_ESU_R ?
451
+ _refine.pdbx_overall_ESU_R_Free ?
452
+ _refine.overall_SU_ML ?
453
+ _refine.overall_SU_B ?
454
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
455
+ _refine.pdbx_diffrn_id 1
456
+ _refine.pdbx_TLS_residual_ADP_flag ?
457
+ _refine.correlation_coeff_Fo_to_Fc ?
458
+ _refine.correlation_coeff_Fo_to_Fc_free ?
459
+ _refine.pdbx_solvent_vdw_probe_radii ?
460
+ _refine.pdbx_solvent_ion_probe_radii ?
461
+ _refine.pdbx_solvent_shrinkage_radii ?
462
+ _refine.pdbx_overall_phase_error ?
463
+ _refine.overall_SU_R_Cruickshank_DPI ?
464
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
465
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
466
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
467
+ #
468
+ _refine_analyze.entry_id 283D
469
+ _refine_analyze.Luzzati_coordinate_error_obs 0.30
470
+ _refine_analyze.Luzzati_sigma_a_obs ?
471
+ _refine_analyze.Luzzati_d_res_low_obs ?
472
+ _refine_analyze.Luzzati_coordinate_error_free ?
473
+ _refine_analyze.Luzzati_sigma_a_free ?
474
+ _refine_analyze.Luzzati_d_res_low_free ?
475
+ _refine_analyze.number_disordered_residues ?
476
+ _refine_analyze.occupancy_sum_hydrogen ?
477
+ _refine_analyze.occupancy_sum_non_hydrogen ?
478
+ _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
479
+ #
480
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
481
+ _refine_hist.cycle_id LAST
482
+ _refine_hist.pdbx_number_atoms_protein 0
483
+ _refine_hist.pdbx_number_atoms_nucleic_acid 258
484
+ _refine_hist.pdbx_number_atoms_ligand 1
485
+ _refine_hist.number_atoms_solvent 18
486
+ _refine_hist.number_atoms_total 277
487
+ _refine_hist.d_res_high 2.300
488
+ _refine_hist.d_res_low 8.000
489
+ #
490
+ loop_
491
+ _refine_ls_restr.type
492
+ _refine_ls_restr.dev_ideal
493
+ _refine_ls_restr.dev_ideal_target
494
+ _refine_ls_restr.weight
495
+ _refine_ls_restr.number
496
+ _refine_ls_restr.pdbx_refine_id
497
+ _refine_ls_restr.pdbx_restraint_function
498
+ x_bond_d 0.020 ? ? ? 'X-RAY DIFFRACTION' ?
499
+ x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
500
+ x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
501
+ x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
502
+ x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
503
+ x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
504
+ x_angle_deg 1.15 ? ? ? 'X-RAY DIFFRACTION' ?
505
+ x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ?
506
+ x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
507
+ x_dihedral_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
508
+ x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
509
+ x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
510
+ x_improper_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ?
511
+ x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ?
512
+ x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ?
513
+ x_mcbond_it 1.300 ? ? ? 'X-RAY DIFFRACTION' ?
514
+ x_mcangle_it 1.700 ? ? ? 'X-RAY DIFFRACTION' ?
515
+ x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ?
516
+ x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ?
517
+ #
518
+ _database_PDB_matrix.entry_id 283D
519
+ _database_PDB_matrix.origx[1][1] 1.000000
520
+ _database_PDB_matrix.origx[1][2] 0.000000
521
+ _database_PDB_matrix.origx[1][3] 0.000000
522
+ _database_PDB_matrix.origx[2][1] 0.000000
523
+ _database_PDB_matrix.origx[2][2] 1.000000
524
+ _database_PDB_matrix.origx[2][3] 0.000000
525
+ _database_PDB_matrix.origx[3][1] 0.000000
526
+ _database_PDB_matrix.origx[3][2] 0.000000
527
+ _database_PDB_matrix.origx[3][3] 1.000000
528
+ _database_PDB_matrix.origx_vector[1] 0.00000
529
+ _database_PDB_matrix.origx_vector[2] 0.00000
530
+ _database_PDB_matrix.origx_vector[3] 0.00000
531
+ #
532
+ _struct.entry_id 283D
533
+ _struct.title
534
+ 'A CURVED RNA HELIX INCORPORATING AN INTERNAL LOOP WITH G-A AND A-A NON-WATSON-CRICK BASE PAIRING'
535
+ _struct.pdbx_model_details ?
536
+ _struct.pdbx_CASP_flag ?
537
+ _struct.pdbx_model_type_details ?
538
+ #
539
+ _struct_keywords.entry_id 283D
540
+ _struct_keywords.pdbx_keywords RNA
541
+ _struct_keywords.text 'UNUSUAL RNA, DOUBLE HELIX, CURVED, INTERNAL LOOP, MISMATCHED, RNA'
542
+ #
543
+ loop_
544
+ _struct_asym.id
545
+ _struct_asym.pdbx_blank_PDB_chainid_flag
546
+ _struct_asym.pdbx_modified
547
+ _struct_asym.entity_id
548
+ _struct_asym.details
549
+ A N N 1 ?
550
+ B N N 2 ?
551
+ C N N 3 ?
552
+ #
553
+ _struct_ref.id 1
554
+ _struct_ref.entity_id 1
555
+ _struct_ref.db_name PDB
556
+ _struct_ref.db_code 283D
557
+ _struct_ref.pdbx_db_accession 283D
558
+ _struct_ref.pdbx_db_isoform ?
559
+ _struct_ref.pdbx_seq_one_letter_code ?
560
+ _struct_ref.pdbx_align_begin ?
561
+ #
562
+ _struct_ref_seq.align_id 1
563
+ _struct_ref_seq.ref_id 1
564
+ _struct_ref_seq.pdbx_PDB_id_code 283D
565
+ _struct_ref_seq.pdbx_strand_id A
566
+ _struct_ref_seq.seq_align_beg 1
567
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
568
+ _struct_ref_seq.seq_align_end 12
569
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
570
+ _struct_ref_seq.pdbx_db_accession 283D
571
+ _struct_ref_seq.db_align_beg 1
572
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
573
+ _struct_ref_seq.db_align_end 12
574
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
575
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
576
+ _struct_ref_seq.pdbx_auth_seq_align_end 12
577
+ #
578
+ _pdbx_struct_assembly.id 1
579
+ _pdbx_struct_assembly.details author_defined_assembly
580
+ _pdbx_struct_assembly.method_details ?
581
+ _pdbx_struct_assembly.oligomeric_details dimeric
582
+ _pdbx_struct_assembly.oligomeric_count 2
583
+ #
584
+ _pdbx_struct_assembly_gen.assembly_id 1
585
+ _pdbx_struct_assembly_gen.oper_expression 1,2
586
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C
587
+ #
588
+ loop_
589
+ _pdbx_struct_oper_list.id
590
+ _pdbx_struct_oper_list.type
591
+ _pdbx_struct_oper_list.name
592
+ _pdbx_struct_oper_list.symmetry_operation
593
+ _pdbx_struct_oper_list.matrix[1][1]
594
+ _pdbx_struct_oper_list.matrix[1][2]
595
+ _pdbx_struct_oper_list.matrix[1][3]
596
+ _pdbx_struct_oper_list.vector[1]
597
+ _pdbx_struct_oper_list.matrix[2][1]
598
+ _pdbx_struct_oper_list.matrix[2][2]
599
+ _pdbx_struct_oper_list.matrix[2][3]
600
+ _pdbx_struct_oper_list.vector[2]
601
+ _pdbx_struct_oper_list.matrix[3][1]
602
+ _pdbx_struct_oper_list.matrix[3][2]
603
+ _pdbx_struct_oper_list.matrix[3][3]
604
+ _pdbx_struct_oper_list.vector[3]
605
+ 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
606
+ 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
607
+ 2 'crystal symmetry operation' 12_555 x,x-y,-z+5/6 0.5000000000 0.8660254038 0.0000000000 0.0000000000 0.8660254038 -0.5000000000
608
+ 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 73.5833333333
609
+ #
610
+ _struct_biol.id 1
611
+ #
612
+ loop_
613
+ _struct_conn.id
614
+ _struct_conn.conn_type_id
615
+ _struct_conn.pdbx_leaving_atom_flag
616
+ _struct_conn.pdbx_PDB_id
617
+ _struct_conn.ptnr1_label_asym_id
618
+ _struct_conn.ptnr1_label_comp_id
619
+ _struct_conn.ptnr1_label_seq_id
620
+ _struct_conn.ptnr1_label_atom_id
621
+ _struct_conn.pdbx_ptnr1_label_alt_id
622
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
623
+ _struct_conn.pdbx_ptnr1_standard_comp_id
624
+ _struct_conn.ptnr1_symmetry
625
+ _struct_conn.ptnr2_label_asym_id
626
+ _struct_conn.ptnr2_label_comp_id
627
+ _struct_conn.ptnr2_label_seq_id
628
+ _struct_conn.ptnr2_label_atom_id
629
+ _struct_conn.pdbx_ptnr2_label_alt_id
630
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
631
+ _struct_conn.ptnr1_auth_asym_id
632
+ _struct_conn.ptnr1_auth_comp_id
633
+ _struct_conn.ptnr1_auth_seq_id
634
+ _struct_conn.ptnr2_auth_asym_id
635
+ _struct_conn.ptnr2_auth_comp_id
636
+ _struct_conn.ptnr2_auth_seq_id
637
+ _struct_conn.ptnr2_symmetry
638
+ _struct_conn.pdbx_ptnr3_label_atom_id
639
+ _struct_conn.pdbx_ptnr3_label_seq_id
640
+ _struct_conn.pdbx_ptnr3_label_comp_id
641
+ _struct_conn.pdbx_ptnr3_label_asym_id
642
+ _struct_conn.pdbx_ptnr3_label_alt_id
643
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
644
+ _struct_conn.details
645
+ _struct_conn.pdbx_dist_value
646
+ _struct_conn.pdbx_value_order
647
+ _struct_conn.pdbx_role
648
+ metalc1 metalc ? ? A A 8 OP2 ? ? ? 1_555 B MN . MN ? ? A A 8 A MN 13 1_555 ? ? ? ? ? ? ? 2.147 ? ?
649
+ metalc2 metalc ? ? A G 9 N7 ? ? ? 1_555 B MN . MN ? ? A G 9 A MN 13 1_555 ? ? ? ? ? ? ? 2.290 ? ?
650
+ metalc3 metalc ? ? B MN . MN ? ? ? 1_555 C HOH . O ? ? A MN 13 A HOH 24 1_555 ? ? ? ? ? ? ? 2.216 ? ?
651
+ metalc4 metalc ? ? B MN . MN ? ? ? 1_555 C HOH . O ? ? A MN 13 A HOH 29 1_555 ? ? ? ? ? ? ? 2.085 ? ?
652
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 1 A C 12 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
653
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 1 A C 12 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
654
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 1 A C 12 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
655
+ hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 11 N3 ? ? A G 2 A C 11 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
656
+ hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 11 O2 ? ? A G 2 A C 11 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
657
+ hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 11 N4 ? ? A G 2 A C 11 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
658
+ hydrog7 hydrog ? ? A C 3 N3 ? ? ? 1_555 A G 10 N1 ? ? A C 3 A G 10 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
659
+ hydrog8 hydrog ? ? A C 3 N4 ? ? ? 1_555 A G 10 O6 ? ? A C 3 A G 10 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
660
+ hydrog9 hydrog ? ? A C 3 O2 ? ? ? 1_555 A G 10 N2 ? ? A C 3 A G 10 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
661
+ hydrog10 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 4 A G 9 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
662
+ hydrog11 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 4 A G 9 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
663
+ hydrog12 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 4 A G 9 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
664
+ hydrog13 hydrog ? ? A G 5 N2 ? ? ? 1_555 A A 8 N7 ? ? A G 5 A A 8 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
665
+ hydrog14 hydrog ? ? A G 5 N3 ? ? ? 1_555 A A 8 N6 ? ? A G 5 A A 8 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
666
+ hydrog15 hydrog ? ? A A 6 N6 ? ? ? 1_555 A A 7 N1 ? ? A A 6 A A 7 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
667
+ hydrog16 hydrog ? ? A A 6 N7 ? ? ? 1_555 A A 7 N6 ? ? A A 6 A A 7 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
668
+ hydrog17 hydrog ? ? A A 7 N1 ? ? ? 1_555 A A 6 N6 ? ? A A 7 A A 6 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
669
+ hydrog18 hydrog ? ? A A 7 N6 ? ? ? 1_555 A A 6 N7 ? ? A A 7 A A 6 12_555 ? ? ? ? ? ? TYPE_5_PAIR ? ? ?
670
+ hydrog19 hydrog ? ? A A 8 N6 ? ? ? 1_555 A G 5 N3 ? ? A A 8 A G 5 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
671
+ hydrog20 hydrog ? ? A A 8 N7 ? ? ? 1_555 A G 5 N2 ? ? A A 8 A G 5 12_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
672
+ hydrog21 hydrog ? ? A G 9 N1 ? ? ? 1_555 A C 4 N3 ? ? A G 9 A C 4 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
673
+ hydrog22 hydrog ? ? A G 9 N2 ? ? ? 1_555 A C 4 O2 ? ? A G 9 A C 4 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
674
+ hydrog23 hydrog ? ? A G 9 O6 ? ? ? 1_555 A C 4 N4 ? ? A G 9 A C 4 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
675
+ hydrog24 hydrog ? ? A G 10 N1 ? ? ? 1_555 A C 3 N3 ? ? A G 10 A C 3 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
676
+ hydrog25 hydrog ? ? A G 10 N2 ? ? ? 1_555 A C 3 O2 ? ? A G 10 A C 3 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
677
+ hydrog26 hydrog ? ? A G 10 O6 ? ? ? 1_555 A C 3 N4 ? ? A G 10 A C 3 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
678
+ hydrog27 hydrog ? ? A C 11 N3 ? ? ? 1_555 A G 2 N1 ? ? A C 11 A G 2 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
679
+ hydrog28 hydrog ? ? A C 11 N4 ? ? ? 1_555 A G 2 O6 ? ? A C 11 A G 2 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
680
+ hydrog29 hydrog ? ? A C 11 O2 ? ? ? 1_555 A G 2 N2 ? ? A C 11 A G 2 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
681
+ hydrog30 hydrog ? ? A C 12 N3 ? ? ? 1_555 A G 1 N1 ? ? A C 12 A G 1 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
682
+ hydrog31 hydrog ? ? A C 12 N4 ? ? ? 1_555 A G 1 O6 ? ? A C 12 A G 1 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
683
+ hydrog32 hydrog ? ? A C 12 O2 ? ? ? 1_555 A G 1 N2 ? ? A C 12 A G 1 12_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
684
+ #
685
+ loop_
686
+ _struct_conn_type.id
687
+ _struct_conn_type.criteria
688
+ _struct_conn_type.reference
689
+ metalc ? ?
690
+ hydrog ? ?
691
+ #
692
+ loop_
693
+ _pdbx_struct_conn_angle.id
694
+ _pdbx_struct_conn_angle.ptnr1_label_atom_id
695
+ _pdbx_struct_conn_angle.ptnr1_label_alt_id
696
+ _pdbx_struct_conn_angle.ptnr1_label_asym_id
697
+ _pdbx_struct_conn_angle.ptnr1_label_comp_id
698
+ _pdbx_struct_conn_angle.ptnr1_label_seq_id
699
+ _pdbx_struct_conn_angle.ptnr1_auth_atom_id
700
+ _pdbx_struct_conn_angle.ptnr1_auth_asym_id
701
+ _pdbx_struct_conn_angle.ptnr1_auth_comp_id
702
+ _pdbx_struct_conn_angle.ptnr1_auth_seq_id
703
+ _pdbx_struct_conn_angle.ptnr1_PDB_ins_code
704
+ _pdbx_struct_conn_angle.ptnr1_symmetry
705
+ _pdbx_struct_conn_angle.ptnr2_label_atom_id
706
+ _pdbx_struct_conn_angle.ptnr2_label_alt_id
707
+ _pdbx_struct_conn_angle.ptnr2_label_asym_id
708
+ _pdbx_struct_conn_angle.ptnr2_label_comp_id
709
+ _pdbx_struct_conn_angle.ptnr2_label_seq_id
710
+ _pdbx_struct_conn_angle.ptnr2_auth_atom_id
711
+ _pdbx_struct_conn_angle.ptnr2_auth_asym_id
712
+ _pdbx_struct_conn_angle.ptnr2_auth_comp_id
713
+ _pdbx_struct_conn_angle.ptnr2_auth_seq_id
714
+ _pdbx_struct_conn_angle.ptnr2_PDB_ins_code
715
+ _pdbx_struct_conn_angle.ptnr2_symmetry
716
+ _pdbx_struct_conn_angle.ptnr3_label_atom_id
717
+ _pdbx_struct_conn_angle.ptnr3_label_alt_id
718
+ _pdbx_struct_conn_angle.ptnr3_label_asym_id
719
+ _pdbx_struct_conn_angle.ptnr3_label_comp_id
720
+ _pdbx_struct_conn_angle.ptnr3_label_seq_id
721
+ _pdbx_struct_conn_angle.ptnr3_auth_atom_id
722
+ _pdbx_struct_conn_angle.ptnr3_auth_asym_id
723
+ _pdbx_struct_conn_angle.ptnr3_auth_comp_id
724
+ _pdbx_struct_conn_angle.ptnr3_auth_seq_id
725
+ _pdbx_struct_conn_angle.ptnr3_PDB_ins_code
726
+ _pdbx_struct_conn_angle.ptnr3_symmetry
727
+ _pdbx_struct_conn_angle.value
728
+ _pdbx_struct_conn_angle.value_esd
729
+ 1 OP2 ? A A 8 ? A A 8 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 N7 ? A G 9 ? A G 9 ? 1_555 102.6 ?
730
+ 2 OP2 ? A A 8 ? A A 8 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 24 ? 1_555 66.3 ?
731
+ 3 N7 ? A G 9 ? A G 9 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 24 ? 1_555 72.5 ?
732
+ 4 OP2 ? A A 8 ? A A 8 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 29 ? 1_555 79.0 ?
733
+ 5 N7 ? A G 9 ? A G 9 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 29 ? 1_555 77.1 ?
734
+ 6 O ? C HOH . ? A HOH 24 ? 1_555 MN ? B MN . ? A MN 13 ? 1_555 O ? C HOH . ? A HOH 29 ? 1_555 126.3 ?
735
+ #
736
+ _struct_site.id AC1
737
+ _struct_site.pdbx_evidence_code Software
738
+ _struct_site.pdbx_auth_asym_id A
739
+ _struct_site.pdbx_auth_comp_id MN
740
+ _struct_site.pdbx_auth_seq_id 13
741
+ _struct_site.pdbx_auth_ins_code ?
742
+ _struct_site.pdbx_num_residues 5
743
+ _struct_site.details 'BINDING SITE FOR RESIDUE MN A 13'
744
+ #
745
+ loop_
746
+ _struct_site_gen.id
747
+ _struct_site_gen.site_id
748
+ _struct_site_gen.pdbx_num_res
749
+ _struct_site_gen.label_comp_id
750
+ _struct_site_gen.label_asym_id
751
+ _struct_site_gen.label_seq_id
752
+ _struct_site_gen.pdbx_auth_ins_code
753
+ _struct_site_gen.auth_comp_id
754
+ _struct_site_gen.auth_asym_id
755
+ _struct_site_gen.auth_seq_id
756
+ _struct_site_gen.label_atom_id
757
+ _struct_site_gen.label_alt_id
758
+ _struct_site_gen.symmetry
759
+ _struct_site_gen.details
760
+ 1 AC1 5 A A 8 ? A A 8 . ? 1_555 ?
761
+ 2 AC1 5 G A 9 ? G A 9 . ? 1_555 ?
762
+ 3 AC1 5 HOH C . ? HOH A 24 . ? 1_555 ?
763
+ 4 AC1 5 HOH C . ? HOH A 27 . ? 1_555 ?
764
+ 5 AC1 5 HOH C . ? HOH A 29 . ? 1_555 ?
765
+ #
766
+ loop_
767
+ _refine_B_iso.class
768
+ _refine_B_iso.details
769
+ _refine_B_iso.treatment
770
+ _refine_B_iso.pdbx_refine_id
771
+ 'ALL ATOMS' TR isotropic 'X-RAY DIFFRACTION'
772
+ 'ALL WATERS' TR isotropic 'X-RAY DIFFRACTION'
773
+ #
774
+ loop_
775
+ _refine_occupancy.class
776
+ _refine_occupancy.treatment
777
+ _refine_occupancy.pdbx_refine_id
778
+ 'ALL ATOMS' fix 'X-RAY DIFFRACTION'
779
+ 'ALL WATERS' fix 'X-RAY DIFFRACTION'
780
+ #
781
+ loop_
782
+ _chem_comp_atom.comp_id
783
+ _chem_comp_atom.atom_id
784
+ _chem_comp_atom.type_symbol
785
+ _chem_comp_atom.pdbx_aromatic_flag
786
+ _chem_comp_atom.pdbx_stereo_config
787
+ _chem_comp_atom.pdbx_ordinal
788
+ A OP3 O N N 1
789
+ A P P N N 2
790
+ A OP1 O N N 3
791
+ A OP2 O N N 4
792
+ A "O5'" O N N 5
793
+ A "C5'" C N N 6
794
+ A "C4'" C N R 7
795
+ A "O4'" O N N 8
796
+ A "C3'" C N S 9
797
+ A "O3'" O N N 10
798
+ A "C2'" C N R 11
799
+ A "O2'" O N N 12
800
+ A "C1'" C N R 13
801
+ A N9 N Y N 14
802
+ A C8 C Y N 15
803
+ A N7 N Y N 16
804
+ A C5 C Y N 17
805
+ A C6 C Y N 18
806
+ A N6 N N N 19
807
+ A N1 N Y N 20
808
+ A C2 C Y N 21
809
+ A N3 N Y N 22
810
+ A C4 C Y N 23
811
+ A HOP3 H N N 24
812
+ A HOP2 H N N 25
813
+ A "H5'" H N N 26
814
+ A "H5''" H N N 27
815
+ A "H4'" H N N 28
816
+ A "H3'" H N N 29
817
+ A "HO3'" H N N 30
818
+ A "H2'" H N N 31
819
+ A "HO2'" H N N 32
820
+ A "H1'" H N N 33
821
+ A H8 H N N 34
822
+ A H61 H N N 35
823
+ A H62 H N N 36
824
+ A H2 H N N 37
825
+ C OP3 O N N 38
826
+ C P P N N 39
827
+ C OP1 O N N 40
828
+ C OP2 O N N 41
829
+ C "O5'" O N N 42
830
+ C "C5'" C N N 43
831
+ C "C4'" C N R 44
832
+ C "O4'" O N N 45
833
+ C "C3'" C N S 46
834
+ C "O3'" O N N 47
835
+ C "C2'" C N R 48
836
+ C "O2'" O N N 49
837
+ C "C1'" C N R 50
838
+ C N1 N N N 51
839
+ C C2 C N N 52
840
+ C O2 O N N 53
841
+ C N3 N N N 54
842
+ C C4 C N N 55
843
+ C N4 N N N 56
844
+ C C5 C N N 57
845
+ C C6 C N N 58
846
+ C HOP3 H N N 59
847
+ C HOP2 H N N 60
848
+ C "H5'" H N N 61
849
+ C "H5''" H N N 62
850
+ C "H4'" H N N 63
851
+ C "H3'" H N N 64
852
+ C "HO3'" H N N 65
853
+ C "H2'" H N N 66
854
+ C "HO2'" H N N 67
855
+ C "H1'" H N N 68
856
+ C H41 H N N 69
857
+ C H42 H N N 70
858
+ C H5 H N N 71
859
+ C H6 H N N 72
860
+ G OP3 O N N 73
861
+ G P P N N 74
862
+ G OP1 O N N 75
863
+ G OP2 O N N 76
864
+ G "O5'" O N N 77
865
+ G "C5'" C N N 78
866
+ G "C4'" C N R 79
867
+ G "O4'" O N N 80
868
+ G "C3'" C N S 81
869
+ G "O3'" O N N 82
870
+ G "C2'" C N R 83
871
+ G "O2'" O N N 84
872
+ G "C1'" C N R 85
873
+ G N9 N Y N 86
874
+ G C8 C Y N 87
875
+ G N7 N Y N 88
876
+ G C5 C Y N 89
877
+ G C6 C N N 90
878
+ G O6 O N N 91
879
+ G N1 N N N 92
880
+ G C2 C N N 93
881
+ G N2 N N N 94
882
+ G N3 N N N 95
883
+ G C4 C Y N 96
884
+ G HOP3 H N N 97
885
+ G HOP2 H N N 98
886
+ G "H5'" H N N 99
887
+ G "H5''" H N N 100
888
+ G "H4'" H N N 101
889
+ G "H3'" H N N 102
890
+ G "HO3'" H N N 103
891
+ G "H2'" H N N 104
892
+ G "HO2'" H N N 105
893
+ G "H1'" H N N 106
894
+ G H8 H N N 107
895
+ G H1 H N N 108
896
+ G H21 H N N 109
897
+ G H22 H N N 110
898
+ HOH O O N N 111
899
+ HOH H1 H N N 112
900
+ HOH H2 H N N 113
901
+ MN MN MN N N 114
902
+ #
903
+ loop_
904
+ _chem_comp_bond.comp_id
905
+ _chem_comp_bond.atom_id_1
906
+ _chem_comp_bond.atom_id_2
907
+ _chem_comp_bond.value_order
908
+ _chem_comp_bond.pdbx_aromatic_flag
909
+ _chem_comp_bond.pdbx_stereo_config
910
+ _chem_comp_bond.pdbx_ordinal
911
+ A OP3 P sing N N 1
912
+ A OP3 HOP3 sing N N 2
913
+ A P OP1 doub N N 3
914
+ A P OP2 sing N N 4
915
+ A P "O5'" sing N N 5
916
+ A OP2 HOP2 sing N N 6
917
+ A "O5'" "C5'" sing N N 7
918
+ A "C5'" "C4'" sing N N 8
919
+ A "C5'" "H5'" sing N N 9
920
+ A "C5'" "H5''" sing N N 10
921
+ A "C4'" "O4'" sing N N 11
922
+ A "C4'" "C3'" sing N N 12
923
+ A "C4'" "H4'" sing N N 13
924
+ A "O4'" "C1'" sing N N 14
925
+ A "C3'" "O3'" sing N N 15
926
+ A "C3'" "C2'" sing N N 16
927
+ A "C3'" "H3'" sing N N 17
928
+ A "O3'" "HO3'" sing N N 18
929
+ A "C2'" "O2'" sing N N 19
930
+ A "C2'" "C1'" sing N N 20
931
+ A "C2'" "H2'" sing N N 21
932
+ A "O2'" "HO2'" sing N N 22
933
+ A "C1'" N9 sing N N 23
934
+ A "C1'" "H1'" sing N N 24
935
+ A N9 C8 sing Y N 25
936
+ A N9 C4 sing Y N 26
937
+ A C8 N7 doub Y N 27
938
+ A C8 H8 sing N N 28
939
+ A N7 C5 sing Y N 29
940
+ A C5 C6 sing Y N 30
941
+ A C5 C4 doub Y N 31
942
+ A C6 N6 sing N N 32
943
+ A C6 N1 doub Y N 33
944
+ A N6 H61 sing N N 34
945
+ A N6 H62 sing N N 35
946
+ A N1 C2 sing Y N 36
947
+ A C2 N3 doub Y N 37
948
+ A C2 H2 sing N N 38
949
+ A N3 C4 sing Y N 39
950
+ C OP3 P sing N N 40
951
+ C OP3 HOP3 sing N N 41
952
+ C P OP1 doub N N 42
953
+ C P OP2 sing N N 43
954
+ C P "O5'" sing N N 44
955
+ C OP2 HOP2 sing N N 45
956
+ C "O5'" "C5'" sing N N 46
957
+ C "C5'" "C4'" sing N N 47
958
+ C "C5'" "H5'" sing N N 48
959
+ C "C5'" "H5''" sing N N 49
960
+ C "C4'" "O4'" sing N N 50
961
+ C "C4'" "C3'" sing N N 51
962
+ C "C4'" "H4'" sing N N 52
963
+ C "O4'" "C1'" sing N N 53
964
+ C "C3'" "O3'" sing N N 54
965
+ C "C3'" "C2'" sing N N 55
966
+ C "C3'" "H3'" sing N N 56
967
+ C "O3'" "HO3'" sing N N 57
968
+ C "C2'" "O2'" sing N N 58
969
+ C "C2'" "C1'" sing N N 59
970
+ C "C2'" "H2'" sing N N 60
971
+ C "O2'" "HO2'" sing N N 61
972
+ C "C1'" N1 sing N N 62
973
+ C "C1'" "H1'" sing N N 63
974
+ C N1 C2 sing N N 64
975
+ C N1 C6 sing N N 65
976
+ C C2 O2 doub N N 66
977
+ C C2 N3 sing N N 67
978
+ C N3 C4 doub N N 68
979
+ C C4 N4 sing N N 69
980
+ C C4 C5 sing N N 70
981
+ C N4 H41 sing N N 71
982
+ C N4 H42 sing N N 72
983
+ C C5 C6 doub N N 73
984
+ C C5 H5 sing N N 74
985
+ C C6 H6 sing N N 75
986
+ G OP3 P sing N N 76
987
+ G OP3 HOP3 sing N N 77
988
+ G P OP1 doub N N 78
989
+ G P OP2 sing N N 79
990
+ G P "O5'" sing N N 80
991
+ G OP2 HOP2 sing N N 81
992
+ G "O5'" "C5'" sing N N 82
993
+ G "C5'" "C4'" sing N N 83
994
+ G "C5'" "H5'" sing N N 84
995
+ G "C5'" "H5''" sing N N 85
996
+ G "C4'" "O4'" sing N N 86
997
+ G "C4'" "C3'" sing N N 87
998
+ G "C4'" "H4'" sing N N 88
999
+ G "O4'" "C1'" sing N N 89
1000
+ G "C3'" "O3'" sing N N 90
1001
+ G "C3'" "C2'" sing N N 91
1002
+ G "C3'" "H3'" sing N N 92
1003
+ G "O3'" "HO3'" sing N N 93
1004
+ G "C2'" "O2'" sing N N 94
1005
+ G "C2'" "C1'" sing N N 95
1006
+ G "C2'" "H2'" sing N N 96
1007
+ G "O2'" "HO2'" sing N N 97
1008
+ G "C1'" N9 sing N N 98
1009
+ G "C1'" "H1'" sing N N 99
1010
+ G N9 C8 sing Y N 100
1011
+ G N9 C4 sing Y N 101
1012
+ G C8 N7 doub Y N 102
1013
+ G C8 H8 sing N N 103
1014
+ G N7 C5 sing Y N 104
1015
+ G C5 C6 sing N N 105
1016
+ G C5 C4 doub Y N 106
1017
+ G C6 O6 doub N N 107
1018
+ G C6 N1 sing N N 108
1019
+ G N1 C2 sing N N 109
1020
+ G N1 H1 sing N N 110
1021
+ G C2 N2 sing N N 111
1022
+ G C2 N3 doub N N 112
1023
+ G N2 H21 sing N N 113
1024
+ G N2 H22 sing N N 114
1025
+ G N3 C4 sing N N 115
1026
+ HOH O H1 sing N N 116
1027
+ HOH O H2 sing N N 117
1028
+ #
1029
+ loop_
1030
+ _ndb_struct_conf_na.entry_id
1031
+ _ndb_struct_conf_na.feature
1032
+ 283D 'double helix'
1033
+ 283D 'a-form double helix'
1034
+ 283D 'mismatched base pair'
1035
+ #
1036
+ loop_
1037
+ _ndb_struct_na_base_pair.model_number
1038
+ _ndb_struct_na_base_pair.i_label_asym_id
1039
+ _ndb_struct_na_base_pair.i_label_comp_id
1040
+ _ndb_struct_na_base_pair.i_label_seq_id
1041
+ _ndb_struct_na_base_pair.i_symmetry
1042
+ _ndb_struct_na_base_pair.j_label_asym_id
1043
+ _ndb_struct_na_base_pair.j_label_comp_id
1044
+ _ndb_struct_na_base_pair.j_label_seq_id
1045
+ _ndb_struct_na_base_pair.j_symmetry
1046
+ _ndb_struct_na_base_pair.shear
1047
+ _ndb_struct_na_base_pair.stretch
1048
+ _ndb_struct_na_base_pair.stagger
1049
+ _ndb_struct_na_base_pair.buckle
1050
+ _ndb_struct_na_base_pair.propeller
1051
+ _ndb_struct_na_base_pair.opening
1052
+ _ndb_struct_na_base_pair.pair_number
1053
+ _ndb_struct_na_base_pair.pair_name
1054
+ _ndb_struct_na_base_pair.i_auth_asym_id
1055
+ _ndb_struct_na_base_pair.i_auth_seq_id
1056
+ _ndb_struct_na_base_pair.i_PDB_ins_code
1057
+ _ndb_struct_na_base_pair.j_auth_asym_id
1058
+ _ndb_struct_na_base_pair.j_auth_seq_id
1059
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1060
+ _ndb_struct_na_base_pair.hbond_type_28
1061
+ _ndb_struct_na_base_pair.hbond_type_12
1062
+ 1 A G 1 1_555 A C 12 12_555 -0.676 -0.096 0.173 1.678 -12.503 0.603 1 A_G1:C12_A A 1 ? A 12 ? 19 1
1063
+ 1 A G 2 1_555 A C 11 12_555 -0.673 -0.165 0.007 6.135 -11.372 0.539 2 A_G2:C11_A A 2 ? A 11 ? 19 1
1064
+ 1 A C 3 1_555 A G 10 12_555 0.552 -0.171 -0.137 8.968 -14.655 0.596 3 A_C3:G10_A A 3 ? A 10 ? 19 1
1065
+ 1 A C 4 1_555 A G 9 12_555 0.118 -0.184 -0.017 1.296 -13.532 2.551 4 A_C4:G9_A A 4 ? A 9 ? 19 1
1066
+ 1 A G 5 1_555 A A 8 12_555 6.751 -4.242 -0.023 -1.029 -18.600 -3.853 5 A_G5:A8_A A 5 ? A 8 ? 11 10
1067
+ 1 A A 6 1_555 A A 7 12_555 -4.173 1.451 -0.816 10.927 -15.893 -106.481 6 A_A6:A7_A A 6 ? A 7 ? 5 4
1068
+ 1 A A 7 1_555 A A 6 12_555 4.173 1.451 -0.816 -10.927 -15.893 -106.481 7 A_A7:A6_A A 7 ? A 6 ? 5 4
1069
+ 1 A A 8 1_555 A G 5 12_555 -6.751 -4.242 -0.023 1.029 -18.600 -3.853 8 A_A8:G5_A A 8 ? A 5 ? 11 10
1070
+ 1 A G 9 1_555 A C 4 12_555 -0.118 -0.184 -0.017 -1.296 -13.532 2.551 9 A_G9:C4_A A 9 ? A 4 ? 19 1
1071
+ 1 A G 10 1_555 A C 3 12_555 -0.552 -0.171 -0.137 -8.968 -14.655 0.596 10 A_G10:C3_A A 10 ? A 3 ? 19 1
1072
+ 1 A C 11 1_555 A G 2 12_555 0.673 -0.165 0.007 -6.135 -11.372 0.539 11 A_C11:G2_A A 11 ? A 2 ? 19 1
1073
+ 1 A C 12 1_555 A G 1 12_555 0.676 -0.096 0.173 -1.678 -12.503 0.603 12 A_C12:G1_A A 12 ? A 1 ? 19 1
1074
+ #
1075
+ loop_
1076
+ _ndb_struct_na_base_pair_step.model_number
1077
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1078
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1079
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1080
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1081
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1082
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1083
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1084
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1085
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1086
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1087
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1088
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1089
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1090
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1091
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1092
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1093
+ _ndb_struct_na_base_pair_step.shift
1094
+ _ndb_struct_na_base_pair_step.slide
1095
+ _ndb_struct_na_base_pair_step.rise
1096
+ _ndb_struct_na_base_pair_step.tilt
1097
+ _ndb_struct_na_base_pair_step.roll
1098
+ _ndb_struct_na_base_pair_step.twist
1099
+ _ndb_struct_na_base_pair_step.x_displacement
1100
+ _ndb_struct_na_base_pair_step.y_displacement
1101
+ _ndb_struct_na_base_pair_step.helical_rise
1102
+ _ndb_struct_na_base_pair_step.inclination
1103
+ _ndb_struct_na_base_pair_step.tip
1104
+ _ndb_struct_na_base_pair_step.helical_twist
1105
+ _ndb_struct_na_base_pair_step.step_number
1106
+ _ndb_struct_na_base_pair_step.step_name
1107
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1108
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1109
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1110
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1111
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1112
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1113
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1114
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1115
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1116
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1117
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1118
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1119
+ 1 A G 1 1_555 A C 12 12_555 A G 2 1_555 A C 11 12_555 0.055 -1.402 3.153 -1.191 7.633 33.204 -3.508 -0.268 2.769 13.136
1120
+ 2.050 34.066 1 AA_G1G2:C11C12_AA A 1 ? A 12 ? A 2 ? A 11 ?
1121
+ 1 A G 2 1_555 A C 11 12_555 A C 3 1_555 A G 10 12_555 0.889 -1.267 3.269 2.195 2.563 37.893 -2.267 -1.087 3.224 3.937
1122
+ -3.372 38.038 2 AA_G2C3:G10C11_AA A 2 ? A 11 ? A 3 ? A 10 ?
1123
+ 1 A C 3 1_555 A G 10 12_555 A C 4 1_555 A G 9 12_555 -0.771 -2.363 3.365 -1.755 10.090 24.329 -7.600 1.270 2.269 22.698
1124
+ 3.949 26.366 3 AA_C3C4:G9G10_AA A 3 ? A 10 ? A 4 ? A 9 ?
1125
+ 1 A C 4 1_555 A G 9 12_555 A G 5 1_555 A A 8 12_555 -1.185 -0.298 3.717 4.117 8.417 59.502 -0.761 1.409 3.568 8.423
1126
+ -4.121 60.168 4 AA_C4G5:A8G9_AA A 4 ? A 9 ? A 5 ? A 8 ?
1127
+ 1 A G 5 1_555 A A 8 12_555 A A 6 1_555 A A 7 12_555 -5.741 0.431 3.115 -0.258 11.303 -8.295 -11.108 -23.744 1.394 -53.831
1128
+ -1.227 -14.015 5 AA_G5A6:A7A8_AA A 5 ? A 8 ? A 6 ? A 7 ?
1129
+ 1 A A 6 1_555 A A 7 12_555 A A 7 1_555 A A 6 12_555 0.000 -5.165 4.280 0.000 6.383 74.101 -4.523 0.000 3.889 5.287
1130
+ 0.000 74.336 6 AA_A6A7:A6A7_AA A 6 ? A 7 ? A 7 ? A 6 ?
1131
+ 1 A A 7 1_555 A A 6 12_555 A A 8 1_555 A G 5 12_555 5.741 0.431 3.115 0.258 11.303 -8.295 -11.108 23.744 1.394 -53.831
1132
+ 1.227 -14.015 7 AA_A7A8:G5A6_AA A 7 ? A 6 ? A 8 ? A 5 ?
1133
+ 1 A A 8 1_555 A G 5 12_555 A G 9 1_555 A C 4 12_555 1.185 -0.298 3.717 -4.117 8.417 59.502 -0.761 -1.409 3.568 8.423
1134
+ 4.121 60.168 8 AA_A8G9:C4G5_AA A 8 ? A 5 ? A 9 ? A 4 ?
1135
+ 1 A G 9 1_555 A C 4 12_555 A G 10 1_555 A C 3 12_555 0.771 -2.363 3.365 1.755 10.090 24.329 -7.600 -1.270 2.269 22.698
1136
+ -3.949 26.366 9 AA_G9G10:C3C4_AA A 9 ? A 4 ? A 10 ? A 3 ?
1137
+ 1 A G 10 1_555 A C 3 12_555 A C 11 1_555 A G 2 12_555 -0.889 -1.267 3.269 -2.195 2.563 37.893 -2.267 1.087 3.224 3.937
1138
+ 3.372 38.038 10 AA_G10C11:G2C3_AA A 10 ? A 3 ? A 11 ? A 2 ?
1139
+ 1 A C 11 1_555 A G 2 12_555 A C 12 1_555 A G 1 12_555 -0.055 -1.402 3.153 1.191 7.633 33.204 -3.508 0.268 2.769 13.136
1140
+ -2.050 34.066 11 AA_C11C12:G1G2_AA A 11 ? A 2 ? A 12 ? A 1 ?
1141
+ #
1142
+ _pdbx_initial_refinement_model.accession_code 157D
1143
+ _pdbx_initial_refinement_model.id 1
1144
+ _pdbx_initial_refinement_model.entity_id_list ?
1145
+ _pdbx_initial_refinement_model.type 'experimental model'
1146
+ _pdbx_initial_refinement_model.source_name PDB
1147
+ _pdbx_initial_refinement_model.details 'STANDARD A-FORM DUPLEX AND ARL048'
1148
+ #
1149
+ _atom_sites.entry_id 283D
1150
+ _atom_sites.fract_transf_matrix[1][1] 0.026518
1151
+ _atom_sites.fract_transf_matrix[1][2] 0.015310
1152
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
1153
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1154
+ _atom_sites.fract_transf_matrix[2][2] 0.030621
1155
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1156
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1157
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1158
+ _atom_sites.fract_transf_matrix[3][3] 0.011325
1159
+ _atom_sites.fract_transf_vector[1] 0.00000
1160
+ _atom_sites.fract_transf_vector[2] 0.00000
1161
+ _atom_sites.fract_transf_vector[3] 0.00000
1162
+ #
1163
+ loop_
1164
+ _atom_type.symbol
1165
+ C
1166
+ MN
1167
+ N
1168
+ O
1169
+ P
1170
+ #
1171
+ loop_
1172
+ _atom_site.group_PDB
1173
+ _atom_site.id
1174
+ _atom_site.type_symbol
1175
+ _atom_site.label_atom_id
1176
+ _atom_site.label_alt_id
1177
+ _atom_site.label_comp_id
1178
+ _atom_site.label_asym_id
1179
+ _atom_site.label_entity_id
1180
+ _atom_site.label_seq_id
1181
+ _atom_site.pdbx_PDB_ins_code
1182
+ _atom_site.Cartn_x
1183
+ _atom_site.Cartn_y
1184
+ _atom_site.Cartn_z
1185
+ _atom_site.occupancy
1186
+ _atom_site.B_iso_or_equiv
1187
+ _atom_site.pdbx_formal_charge
1188
+ _atom_site.auth_seq_id
1189
+ _atom_site.auth_comp_id
1190
+ _atom_site.auth_asym_id
1191
+ _atom_site.auth_atom_id
1192
+ _atom_site.pdbx_PDB_model_num
1193
+ ATOM 1 O "O5'" . G A 1 1 ? -4.161 17.167 30.481 1.00 27.44 ? 1 G A "O5'" 1
1194
+ ATOM 2 C "C5'" . G A 1 1 ? -3.433 18.087 29.680 1.00 26.88 ? 1 G A "C5'" 1
1195
+ ATOM 3 C "C4'" . G A 1 1 ? -2.337 18.752 30.466 1.00 26.52 ? 1 G A "C4'" 1
1196
+ ATOM 4 O "O4'" . G A 1 1 ? -2.923 19.514 31.548 1.00 27.19 ? 1 G A "O4'" 1
1197
+ ATOM 5 C "C3'" . G A 1 1 ? -1.386 17.808 31.169 1.00 27.45 ? 1 G A "C3'" 1
1198
+ ATOM 6 O "O3'" . G A 1 1 ? -0.370 17.364 30.287 1.00 31.56 ? 1 G A "O3'" 1
1199
+ ATOM 7 C "C2'" . G A 1 1 ? -0.839 18.702 32.268 1.00 27.77 ? 1 G A "C2'" 1
1200
+ ATOM 8 O "O2'" . G A 1 1 ? 0.084 19.650 31.766 1.00 28.74 ? 1 G A "O2'" 1
1201
+ ATOM 9 C "C1'" . G A 1 1 ? -2.111 19.418 32.706 1.00 24.25 ? 1 G A "C1'" 1
1202
+ ATOM 10 N N9 . G A 1 1 ? -2.870 18.678 33.709 1.00 21.14 ? 1 G A N9 1
1203
+ ATOM 11 C C8 . G A 1 1 ? -4.001 17.930 33.495 1.00 19.63 ? 1 G A C8 1
1204
+ ATOM 12 N N7 . G A 1 1 ? -4.476 17.394 34.586 1.00 18.20 ? 1 G A N7 1
1205
+ ATOM 13 C C5 . G A 1 1 ? -3.602 17.808 35.577 1.00 18.54 ? 1 G A C5 1
1206
+ ATOM 14 C C6 . G A 1 1 ? -3.605 17.540 36.955 1.00 19.39 ? 1 G A C6 1
1207
+ ATOM 15 O O6 . G A 1 1 ? -4.422 16.879 37.611 1.00 24.35 ? 1 G A O6 1
1208
+ ATOM 16 N N1 . G A 1 1 ? -2.533 18.137 37.588 1.00 18.55 ? 1 G A N1 1
1209
+ ATOM 17 C C2 . G A 1 1 ? -1.594 18.912 36.973 1.00 20.15 ? 1 G A C2 1
1210
+ ATOM 18 N N2 . G A 1 1 ? -0.649 19.407 37.762 1.00 24.03 ? 1 G A N2 1
1211
+ ATOM 19 N N3 . G A 1 1 ? -1.581 19.184 35.685 1.00 20.75 ? 1 G A N3 1
1212
+ ATOM 20 C C4 . G A 1 1 ? -2.605 18.600 35.051 1.00 19.98 ? 1 G A C4 1
1213
+ ATOM 21 P P . G A 1 2 ? 0.185 15.866 30.412 1.00 35.28 ? 2 G A P 1
1214
+ ATOM 22 O OP1 . G A 1 2 ? 1.092 15.606 29.255 1.00 34.70 ? 2 G A OP1 1
1215
+ ATOM 23 O OP2 . G A 1 2 ? -0.989 14.971 30.643 1.00 31.86 ? 2 G A OP2 1
1216
+ ATOM 24 O "O5'" . G A 1 2 ? 1.065 15.940 31.737 1.00 33.28 ? 2 G A "O5'" 1
1217
+ ATOM 25 C "C5'" . G A 1 2 ? 2.194 16.791 31.794 1.00 31.51 ? 2 G A "C5'" 1
1218
+ ATOM 26 C "C4'" . G A 1 2 ? 2.791 16.776 33.174 1.00 31.96 ? 2 G A "C4'" 1
1219
+ ATOM 27 O "O4'" . G A 1 2 ? 1.859 17.387 34.096 1.00 31.69 ? 2 G A "O4'" 1
1220
+ ATOM 28 C "C3'" . G A 1 2 ? 3.051 15.416 33.798 1.00 32.03 ? 2 G A "C3'" 1
1221
+ ATOM 29 O "O3'" . G A 1 2 ? 4.285 14.865 33.370 1.00 32.62 ? 2 G A "O3'" 1
1222
+ ATOM 30 C "C2'" . G A 1 2 ? 3.146 15.793 35.262 1.00 30.49 ? 2 G A "C2'" 1
1223
+ ATOM 31 O "O2'" . G A 1 2 ? 4.361 16.478 35.461 1.00 30.11 ? 2 G A "O2'" 1
1224
+ ATOM 32 C "C1'" . G A 1 2 ? 1.989 16.784 35.378 1.00 30.38 ? 2 G A "C1'" 1
1225
+ ATOM 33 N N9 . G A 1 2 ? 0.713 16.148 35.706 1.00 29.57 ? 2 G A N9 1
1226
+ ATOM 34 C C8 . G A 1 2 ? -0.275 15.787 34.820 1.00 28.32 ? 2 G A C8 1
1227
+ ATOM 35 N N7 . G A 1 2 ? -1.309 15.241 35.400 1.00 25.06 ? 2 G A N7 1
1228
+ ATOM 36 C C5 . G A 1 2 ? -0.991 15.243 36.750 1.00 25.04 ? 2 G A C5 1
1229
+ ATOM 37 C C6 . G A 1 2 ? -1.731 14.773 37.863 1.00 23.98 ? 2 G A C6 1
1230
+ ATOM 38 O O6 . G A 1 2 ? -2.867 14.270 37.877 1.00 19.57 ? 2 G A O6 1
1231
+ ATOM 39 N N1 . G A 1 2 ? -1.027 14.942 39.051 1.00 23.46 ? 2 G A N1 1
1232
+ ATOM 40 C C2 . G A 1 2 ? 0.221 15.512 39.157 1.00 25.36 ? 2 G A C2 1
1233
+ ATOM 41 N N2 . G A 1 2 ? 0.731 15.614 40.394 1.00 24.80 ? 2 G A N2 1
1234
+ ATOM 42 N N3 . G A 1 2 ? 0.918 15.958 38.125 1.00 27.60 ? 2 G A N3 1
1235
+ ATOM 43 C C4 . G A 1 2 ? 0.256 15.792 36.960 1.00 26.97 ? 2 G A C4 1
1236
+ ATOM 44 P P . C A 1 3 ? 4.432 13.271 33.230 1.00 35.78 ? 3 C A P 1
1237
+ ATOM 45 O OP1 . C A 1 3 ? 5.812 13.021 32.745 1.00 38.31 ? 3 C A OP1 1
1238
+ ATOM 46 O OP2 . C A 1 3 ? 3.263 12.707 32.485 1.00 33.86 ? 3 C A OP2 1
1239
+ ATOM 47 O "O5'" . C A 1 3 ? 4.366 12.722 34.722 1.00 35.21 ? 3 C A "O5'" 1
1240
+ ATOM 48 C "C5'" . C A 1 3 ? 5.433 12.953 35.629 1.00 30.10 ? 3 C A "C5'" 1
1241
+ ATOM 49 C "C4'" . C A 1 3 ? 4.977 12.667 37.031 1.00 27.76 ? 3 C A "C4'" 1
1242
+ ATOM 50 O "O4'" . C A 1 3 ? 3.724 13.366 37.215 1.00 24.62 ? 3 C A "O4'" 1
1243
+ ATOM 51 C "C3'" . C A 1 3 ? 4.599 11.229 37.360 1.00 27.08 ? 3 C A "C3'" 1
1244
+ ATOM 52 O "O3'" . C A 1 3 ? 5.742 10.427 37.662 1.00 30.37 ? 3 C A "O3'" 1
1245
+ ATOM 53 C "C2'" . C A 1 3 ? 3.713 11.437 38.584 1.00 27.50 ? 3 C A "C2'" 1
1246
+ ATOM 54 O "O2'" . C A 1 3 ? 4.421 11.738 39.774 1.00 29.07 ? 3 C A "O2'" 1
1247
+ ATOM 55 C "C1'" . C A 1 3 ? 2.935 12.679 38.166 1.00 23.94 ? 3 C A "C1'" 1
1248
+ ATOM 56 N N1 . C A 1 3 ? 1.652 12.323 37.558 1.00 18.41 ? 3 C A N1 1
1249
+ ATOM 57 C C2 . C A 1 3 ? 0.626 11.963 38.402 1.00 17.40 ? 3 C A C2 1
1250
+ ATOM 58 O O2 . C A 1 3 ? 0.846 11.951 39.628 1.00 17.61 ? 3 C A O2 1
1251
+ ATOM 59 N N3 . C A 1 3 ? -0.577 11.626 37.883 1.00 17.99 ? 3 C A N3 1
1252
+ ATOM 60 C C4 . C A 1 3 ? -0.753 11.629 36.565 1.00 15.80 ? 3 C A C4 1
1253
+ ATOM 61 N N4 . C A 1 3 ? -1.954 11.287 36.095 1.00 14.65 ? 3 C A N4 1
1254
+ ATOM 62 C C5 . C A 1 3 ? 0.293 11.985 35.674 1.00 13.95 ? 3 C A C5 1
1255
+ ATOM 63 C C6 . C A 1 3 ? 1.468 12.332 36.209 1.00 14.66 ? 3 C A C6 1
1256
+ ATOM 64 P P . C A 1 4 ? 5.693 8.822 37.435 1.00 28.80 ? 4 C A P 1
1257
+ ATOM 65 O OP1 . C A 1 4 ? 7.087 8.321 37.540 1.00 29.31 ? 4 C A OP1 1
1258
+ ATOM 66 O OP2 . C A 1 4 ? 4.896 8.524 36.219 1.00 30.28 ? 4 C A OP2 1
1259
+ ATOM 67 O "O5'" . C A 1 4 ? 4.896 8.274 38.696 1.00 27.30 ? 4 C A "O5'" 1
1260
+ ATOM 68 C "C5'" . C A 1 4 ? 5.381 8.508 40.007 1.00 20.12 ? 4 C A "C5'" 1
1261
+ ATOM 69 C "C4'" . C A 1 4 ? 4.387 8.013 41.012 1.00 19.28 ? 4 C A "C4'" 1
1262
+ ATOM 70 O "O4'" . C A 1 4 ? 3.148 8.743 40.857 1.00 17.85 ? 4 C A "O4'" 1
1263
+ ATOM 71 C "C3'" . C A 1 4 ? 3.943 6.582 40.807 1.00 20.32 ? 4 C A "C3'" 1
1264
+ ATOM 72 O "O3'" . C A 1 4 ? 4.894 5.676 41.328 1.00 24.15 ? 4 C A "O3'" 1
1265
+ ATOM 73 C "C2'" . C A 1 4 ? 2.641 6.544 41.586 1.00 17.05 ? 4 C A "C2'" 1
1266
+ ATOM 74 O "O2'" . C A 1 4 ? 2.873 6.431 42.966 1.00 17.62 ? 4 C A "O2'" 1
1267
+ ATOM 75 C "C1'" . C A 1 4 ? 2.067 7.924 41.262 1.00 14.72 ? 4 C A "C1'" 1
1268
+ ATOM 76 N N1 . C A 1 4 ? 1.075 7.896 40.185 1.00 13.75 ? 4 C A N1 1
1269
+ ATOM 77 C C2 . C A 1 4 ? -0.207 7.442 40.481 1.00 14.49 ? 4 C A C2 1
1270
+ ATOM 78 O O2 . C A 1 4 ? -0.458 7.057 41.638 1.00 17.67 ? 4 C A O2 1
1271
+ ATOM 79 N N3 . C A 1 4 ? -1.144 7.431 39.514 1.00 14.11 ? 4 C A N3 1
1272
+ ATOM 80 C C4 . C A 1 4 ? -0.843 7.860 38.297 1.00 11.24 ? 4 C A C4 1
1273
+ ATOM 81 N N4 . C A 1 4 ? -1.813 7.874 37.407 1.00 11.95 ? 4 C A N4 1
1274
+ ATOM 82 C C5 . C A 1 4 ? 0.465 8.306 37.954 1.00 9.98 ? 4 C A C5 1
1275
+ ATOM 83 C C6 . C A 1 4 ? 1.386 8.307 38.918 1.00 14.16 ? 4 C A C6 1
1276
+ ATOM 84 P P . G A 1 5 ? 5.077 4.246 40.633 1.00 24.83 ? 5 G A P 1
1277
+ ATOM 85 O OP1 . G A 1 5 ? 6.091 3.552 41.451 1.00 28.39 ? 5 G A OP1 1
1278
+ ATOM 86 O OP2 . G A 1 5 ? 5.278 4.401 39.166 1.00 26.02 ? 5 G A OP2 1
1279
+ ATOM 87 O "O5'" . G A 1 5 ? 3.665 3.540 40.828 1.00 23.96 ? 5 G A "O5'" 1
1280
+ ATOM 88 C "C5'" . G A 1 5 ? 3.112 3.340 42.121 1.00 25.20 ? 5 G A "C5'" 1
1281
+ ATOM 89 C "C4'" . G A 1 5 ? 1.748 2.716 41.990 1.00 24.55 ? 5 G A "C4'" 1
1282
+ ATOM 90 O "O4'" . G A 1 5 ? 0.826 3.704 41.485 1.00 24.99 ? 5 G A "O4'" 1
1283
+ ATOM 91 C "C3'" . G A 1 5 ? 1.697 1.600 40.966 1.00 24.86 ? 5 G A "C3'" 1
1284
+ ATOM 92 O "O3'" . G A 1 5 ? 2.046 0.366 41.564 1.00 28.52 ? 5 G A "O3'" 1
1285
+ ATOM 93 C "C2'" . G A 1 5 ? 0.246 1.614 40.526 1.00 21.34 ? 5 G A "C2'" 1
1286
+ ATOM 94 O "O2'" . G A 1 5 ? -0.598 0.922 41.409 1.00 21.64 ? 5 G A "O2'" 1
1287
+ ATOM 95 C "C1'" . G A 1 5 ? -0.063 3.107 40.554 1.00 22.10 ? 5 G A "C1'" 1
1288
+ ATOM 96 N N9 . G A 1 5 ? 0.151 3.755 39.266 1.00 20.89 ? 5 G A N9 1
1289
+ ATOM 97 C C8 . G A 1 5 ? 1.354 4.167 38.739 1.00 19.02 ? 5 G A C8 1
1290
+ ATOM 98 N N7 . G A 1 5 ? 1.233 4.700 37.555 1.00 18.30 ? 5 G A N7 1
1291
+ ATOM 99 C C5 . G A 1 5 ? -0.132 4.637 37.289 1.00 14.38 ? 5 G A C5 1
1292
+ ATOM 100 C C6 . G A 1 5 ? -0.873 5.058 36.147 1.00 14.55 ? 5 G A C6 1
1293
+ ATOM 101 O O6 . G A 1 5 ? -0.461 5.594 35.116 1.00 14.73 ? 5 G A O6 1
1294
+ ATOM 102 N N1 . G A 1 5 ? -2.227 4.803 36.297 1.00 12.18 ? 5 G A N1 1
1295
+ ATOM 103 C C2 . G A 1 5 ? -2.804 4.248 37.399 1.00 13.12 ? 5 G A C2 1
1296
+ ATOM 104 N N2 . G A 1 5 ? -4.136 4.125 37.361 1.00 16.34 ? 5 G A N2 1
1297
+ ATOM 105 N N3 . G A 1 5 ? -2.133 3.851 38.464 1.00 15.72 ? 5 G A N3 1
1298
+ ATOM 106 C C4 . G A 1 5 ? -0.809 4.071 38.339 1.00 15.43 ? 5 G A C4 1
1299
+ ATOM 107 P P . A A 1 6 ? 3.165 -0.552 40.880 1.00 27.34 ? 6 A A P 1
1300
+ ATOM 108 O OP1 . A A 1 6 ? 4.424 -0.308 41.648 1.00 26.87 ? 6 A A OP1 1
1301
+ ATOM 109 O OP2 . A A 1 6 ? 3.132 -0.271 39.442 1.00 28.92 ? 6 A A OP2 1
1302
+ ATOM 110 O "O5'" . A A 1 6 ? 2.619 -2.041 41.087 1.00 25.01 ? 6 A A "O5'" 1
1303
+ ATOM 111 C "C5'" . A A 1 6 ? 3.078 -2.832 42.166 1.00 18.86 ? 6 A A "C5'" 1
1304
+ ATOM 112 C "C4'" . A A 1 6 ? 1.969 -3.697 42.714 1.00 19.54 ? 6 A A "C4'" 1
1305
+ ATOM 113 O "O4'" . A A 1 6 ? 0.774 -2.909 42.946 1.00 18.52 ? 6 A A "O4'" 1
1306
+ ATOM 114 C "C3'" . A A 1 6 ? 1.428 -4.826 41.858 1.00 18.52 ? 6 A A "C3'" 1
1307
+ ATOM 115 O "O3'" . A A 1 6 ? 2.310 -5.945 41.880 1.00 22.89 ? 6 A A "O3'" 1
1308
+ ATOM 116 C "C2'" . A A 1 6 ? 0.151 -5.171 42.619 1.00 17.00 ? 6 A A "C2'" 1
1309
+ ATOM 117 O "O2'" . A A 1 6 ? 0.363 -5.966 43.766 1.00 16.08 ? 6 A A "O2'" 1
1310
+ ATOM 118 C "C1'" . A A 1 6 ? -0.317 -3.795 43.090 1.00 17.16 ? 6 A A "C1'" 1
1311
+ ATOM 119 N N9 . A A 1 6 ? -1.434 -3.351 42.279 1.00 17.13 ? 6 A A N9 1
1312
+ ATOM 120 C C8 . A A 1 6 ? -1.465 -2.516 41.201 1.00 17.21 ? 6 A A C8 1
1313
+ ATOM 121 N N7 . A A 1 6 ? -2.651 -2.406 40.657 1.00 20.31 ? 6 A A N7 1
1314
+ ATOM 122 C C5 . A A 1 6 ? -3.458 -3.208 41.447 1.00 18.62 ? 6 A A C5 1
1315
+ ATOM 123 C C6 . A A 1 6 ? -4.828 -3.522 41.396 1.00 22.34 ? 6 A A C6 1
1316
+ ATOM 124 N N6 . A A 1 6 ? -5.667 -3.046 40.467 1.00 21.85 ? 6 A A N6 1
1317
+ ATOM 125 N N1 . A A 1 6 ? -5.318 -4.358 42.347 1.00 24.61 ? 6 A A N1 1
1318
+ ATOM 126 C C2 . A A 1 6 ? -4.478 -4.830 43.278 1.00 21.81 ? 6 A A C2 1
1319
+ ATOM 127 N N3 . A A 1 6 ? -3.172 -4.605 43.425 1.00 20.74 ? 6 A A N3 1
1320
+ ATOM 128 C C4 . A A 1 6 ? -2.722 -3.780 42.463 1.00 19.54 ? 6 A A C4 1
1321
+ ATOM 129 P P . A A 1 7 ? 2.386 -6.938 40.617 1.00 21.40 ? 7 A A P 1
1322
+ ATOM 130 O OP1 . A A 1 7 ? 3.050 -8.180 41.075 1.00 21.95 ? 7 A A OP1 1
1323
+ ATOM 131 O OP2 . A A 1 7 ? 2.983 -6.171 39.515 1.00 25.68 ? 7 A A OP2 1
1324
+ ATOM 132 O "O5'" . A A 1 7 ? 0.861 -7.254 40.292 1.00 19.37 ? 7 A A "O5'" 1
1325
+ ATOM 133 C "C5'" . A A 1 7 ? 0.137 -8.157 41.115 1.00 21.07 ? 7 A A "C5'" 1
1326
+ ATOM 134 C "C4'" . A A 1 7 ? -1.309 -8.205 40.705 1.00 19.54 ? 7 A A "C4'" 1
1327
+ ATOM 135 O "O4'" . A A 1 7 ? -1.848 -6.866 40.767 1.00 19.81 ? 7 A A "O4'" 1
1328
+ ATOM 136 C "C3'" . A A 1 7 ? -1.589 -8.635 39.281 1.00 19.82 ? 7 A A "C3'" 1
1329
+ ATOM 137 O "O3'" . A A 1 7 ? -1.626 -10.044 39.201 1.00 21.55 ? 7 A A "O3'" 1
1330
+ ATOM 138 C "C2'" . A A 1 7 ? -2.969 -8.044 39.049 1.00 18.91 ? 7 A A "C2'" 1
1331
+ ATOM 139 O "O2'" . A A 1 7 ? -3.988 -8.816 39.634 1.00 18.94 ? 7 A A "O2'" 1
1332
+ ATOM 140 C "C1'" . A A 1 7 ? -2.835 -6.704 39.769 1.00 17.83 ? 7 A A "C1'" 1
1333
+ ATOM 141 N N9 . A A 1 7 ? -2.357 -5.681 38.860 1.00 13.96 ? 7 A A N9 1
1334
+ ATOM 142 C C8 . A A 1 7 ? -1.120 -5.114 38.797 1.00 13.90 ? 7 A A C8 1
1335
+ ATOM 143 N N7 . A A 1 7 ? -0.987 -4.256 37.823 1.00 14.62 ? 7 A A N7 1
1336
+ ATOM 144 C C5 . A A 1 7 ? -2.233 -4.249 37.215 1.00 15.00 ? 7 A A C5 1
1337
+ ATOM 145 C C6 . A A 1 7 ? -2.752 -3.551 36.110 1.00 16.24 ? 7 A A C6 1
1338
+ ATOM 146 N N6 . A A 1 7 ? -2.048 -2.689 35.367 1.00 11.15 ? 7 A A N6 1
1339
+ ATOM 147 N N1 . A A 1 7 ? -4.041 -3.781 35.777 1.00 17.70 ? 7 A A N1 1
1340
+ ATOM 148 C C2 . A A 1 7 ? -4.741 -4.658 36.494 1.00 17.12 ? 7 A A C2 1
1341
+ ATOM 149 N N3 . A A 1 7 ? -4.362 -5.377 37.543 1.00 18.14 ? 7 A A N3 1
1342
+ ATOM 150 C C4 . A A 1 7 ? -3.084 -5.118 37.854 1.00 14.68 ? 7 A A C4 1
1343
+ ATOM 151 P P . A A 1 8 ? -1.089 -10.784 37.885 1.00 23.35 ? 8 A A P 1
1344
+ ATOM 152 O OP1 . A A 1 8 ? -1.337 -12.229 38.125 1.00 22.83 ? 8 A A OP1 1
1345
+ ATOM 153 O OP2 . A A 1 8 ? 0.290 -10.311 37.483 1.00 20.78 ? 8 A A OP2 1
1346
+ ATOM 154 O "O5'" . A A 1 8 ? -2.131 -10.330 36.785 1.00 26.36 ? 8 A A "O5'" 1
1347
+ ATOM 155 C "C5'" . A A 1 8 ? -3.498 -10.700 36.881 1.00 28.41 ? 8 A A "C5'" 1
1348
+ ATOM 156 C "C4'" . A A 1 8 ? -4.247 -10.132 35.706 1.00 27.78 ? 8 A A "C4'" 1
1349
+ ATOM 157 O "O4'" . A A 1 8 ? -4.168 -8.683 35.767 1.00 27.11 ? 8 A A "O4'" 1
1350
+ ATOM 158 C "C3'" . A A 1 8 ? -3.611 -10.466 34.366 1.00 29.28 ? 8 A A "C3'" 1
1351
+ ATOM 159 O "O3'" . A A 1 8 ? -4.001 -11.752 33.898 1.00 27.11 ? 8 A A "O3'" 1
1352
+ ATOM 160 C "C2'" . A A 1 8 ? -4.111 -9.329 33.481 1.00 29.93 ? 8 A A "C2'" 1
1353
+ ATOM 161 O "O2'" . A A 1 8 ? -5.442 -9.485 33.042 1.00 32.80 ? 8 A A "O2'" 1
1354
+ ATOM 162 C "C1'" . A A 1 8 ? -4.084 -8.155 34.454 1.00 27.65 ? 8 A A "C1'" 1
1355
+ ATOM 163 N N9 . A A 1 8 ? -2.892 -7.310 34.341 1.00 24.36 ? 8 A A N9 1
1356
+ ATOM 164 C C8 . A A 1 8 ? -1.780 -7.264 35.140 1.00 21.66 ? 8 A A C8 1
1357
+ ATOM 165 N N7 . A A 1 8 ? -0.922 -6.332 34.793 1.00 21.00 ? 8 A A N7 1
1358
+ ATOM 166 C C5 . A A 1 8 ? -1.500 -5.739 33.680 1.00 19.18 ? 8 A A C5 1
1359
+ ATOM 167 C C6 . A A 1 8 ? -1.101 -4.676 32.856 1.00 19.17 ? 8 A A C6 1
1360
+ ATOM 168 N N6 . A A 1 8 ? 0.020 -3.986 33.023 1.00 19.34 ? 8 A A N6 1
1361
+ ATOM 169 N N1 . A A 1 8 ? -1.911 -4.336 31.837 1.00 19.24 ? 8 A A N1 1
1362
+ ATOM 170 C C2 . A A 1 8 ? -3.041 -5.019 31.663 1.00 18.44 ? 8 A A C2 1
1363
+ ATOM 171 N N3 . A A 1 8 ? -3.528 -6.029 32.367 1.00 19.02 ? 8 A A N3 1
1364
+ ATOM 172 C C4 . A A 1 8 ? -2.702 -6.344 33.378 1.00 20.71 ? 8 A A C4 1
1365
+ ATOM 173 P P . G A 1 9 ? -2.879 -12.787 33.414 1.00 26.87 ? 9 G A P 1
1366
+ ATOM 174 O OP1 . G A 1 9 ? -3.545 -13.898 32.689 1.00 33.39 ? 9 G A OP1 1
1367
+ ATOM 175 O OP2 . G A 1 9 ? -1.968 -13.089 34.533 1.00 30.04 ? 9 G A OP2 1
1368
+ ATOM 176 O "O5'" . G A 1 9 ? -2.036 -11.973 32.344 1.00 29.08 ? 9 G A "O5'" 1
1369
+ ATOM 177 C "C5'" . G A 1 9 ? -2.663 -11.374 31.229 1.00 23.83 ? 9 G A "C5'" 1
1370
+ ATOM 178 C "C4'" . G A 1 9 ? -1.757 -10.336 30.630 1.00 24.44 ? 9 G A "C4'" 1
1371
+ ATOM 179 O "O4'" . G A 1 9 ? -1.491 -9.294 31.602 1.00 24.76 ? 9 G A "O4'" 1
1372
+ ATOM 180 C "C3'" . G A 1 9 ? -0.350 -10.777 30.282 1.00 25.88 ? 9 G A "C3'" 1
1373
+ ATOM 181 O "O3'" . G A 1 9 ? -0.328 -11.568 29.099 1.00 32.03 ? 9 G A "O3'" 1
1374
+ ATOM 182 C "C2'" . G A 1 9 ? 0.319 -9.429 30.094 1.00 24.68 ? 9 G A "C2'" 1
1375
+ ATOM 183 O "O2'" . G A 1 9 ? -0.141 -8.831 28.894 1.00 23.73 ? 9 G A "O2'" 1
1376
+ ATOM 184 C "C1'" . G A 1 9 ? -0.265 -8.656 31.277 1.00 23.32 ? 9 G A "C1'" 1
1377
+ ATOM 185 N N9 . G A 1 9 ? 0.597 -8.625 32.459 1.00 20.92 ? 9 G A N9 1
1378
+ ATOM 186 C C8 . G A 1 9 ? 0.569 -9.448 33.560 1.00 18.81 ? 9 G A C8 1
1379
+ ATOM 187 N N7 . G A 1 9 ? 1.507 -9.178 34.443 1.00 22.74 ? 9 G A N7 1
1380
+ ATOM 188 C C5 . G A 1 9 ? 2.184 -8.094 33.882 1.00 22.32 ? 9 G A C5 1
1381
+ ATOM 189 C C6 . G A 1 9 ? 3.313 -7.347 34.350 1.00 23.99 ? 9 G A C6 1
1382
+ ATOM 190 O O6 . G A 1 9 ? 3.958 -7.492 35.397 1.00 25.79 ? 9 G A O6 1
1383
+ ATOM 191 N N1 . G A 1 9 ? 3.670 -6.338 33.452 1.00 21.89 ? 9 G A N1 1
1384
+ ATOM 192 C C2 . G A 1 9 ? 3.020 -6.072 32.266 1.00 22.01 ? 9 G A C2 1
1385
+ ATOM 193 N N2 . G A 1 9 ? 3.486 -5.055 31.540 1.00 22.66 ? 9 G A N2 1
1386
+ ATOM 194 N N3 . G A 1 9 ? 1.984 -6.751 31.823 1.00 20.39 ? 9 G A N3 1
1387
+ ATOM 195 C C4 . G A 1 9 ? 1.625 -7.741 32.665 1.00 22.06 ? 9 G A C4 1
1388
+ ATOM 196 P P . G A 1 10 ? 0.954 -12.484 28.774 1.00 31.90 ? 10 G A P 1
1389
+ ATOM 197 O OP1 . G A 1 10 ? 0.614 -13.338 27.607 1.00 34.82 ? 10 G A OP1 1
1390
+ ATOM 198 O OP2 . G A 1 10 ? 1.470 -13.113 30.018 1.00 33.60 ? 10 G A OP2 1
1391
+ ATOM 199 O "O5'" . G A 1 10 ? 1.996 -11.396 28.285 1.00 33.66 ? 10 G A "O5'" 1
1392
+ ATOM 200 C "C5'" . G A 1 10 ? 3.371 -11.487 28.599 1.00 30.41 ? 10 G A "C5'" 1
1393
+ ATOM 201 C "C4'" . G A 1 10 ? 3.993 -10.129 28.457 1.00 27.72 ? 10 G A "C4'" 1
1394
+ ATOM 202 O "O4'" . G A 1 10 ? 3.624 -9.308 29.589 1.00 26.93 ? 10 G A "O4'" 1
1395
+ ATOM 203 C "C3'" . G A 1 10 ? 5.500 -10.114 28.443 1.00 27.42 ? 10 G A "C3'" 1
1396
+ ATOM 204 O "O3'" . G A 1 10 ? 5.900 -10.346 27.097 1.00 31.00 ? 10 G A "O3'" 1
1397
+ ATOM 205 C "C2'" . G A 1 10 ? 5.794 -8.684 28.866 1.00 27.07 ? 10 G A "C2'" 1
1398
+ ATOM 206 O "O2'" . G A 1 10 ? 5.619 -7.785 27.799 1.00 26.72 ? 10 G A "O2'" 1
1399
+ ATOM 207 C "C1'" . G A 1 10 ? 4.693 -8.440 29.902 1.00 26.96 ? 10 G A "C1'" 1
1400
+ ATOM 208 N N9 . G A 1 10 ? 5.114 -8.712 31.273 1.00 25.33 ? 10 G A N9 1
1401
+ ATOM 209 C C8 . G A 1 10 ? 4.573 -9.629 32.134 1.00 22.09 ? 10 G A C8 1
1402
+ ATOM 210 N N7 . G A 1 10 ? 5.164 -9.647 33.296 1.00 24.57 ? 10 G A N7 1
1403
+ ATOM 211 C C5 . G A 1 10 ? 6.153 -8.681 33.195 1.00 24.10 ? 10 G A C5 1
1404
+ ATOM 212 C C6 . G A 1 10 ? 7.113 -8.254 34.138 1.00 24.97 ? 10 G A C6 1
1405
+ ATOM 213 O O6 . G A 1 10 ? 7.273 -8.640 35.289 1.00 26.11 ? 10 G A O6 1
1406
+ ATOM 214 N N1 . G A 1 10 ? 7.941 -7.261 33.621 1.00 24.50 ? 10 G A N1 1
1407
+ ATOM 215 C C2 . G A 1 10 ? 7.842 -6.736 32.362 1.00 22.92 ? 10 G A C2 1
1408
+ ATOM 216 N N2 . G A 1 10 ? 8.728 -5.782 32.050 1.00 22.94 ? 10 G A N2 1
1409
+ ATOM 217 N N3 . G A 1 10 ? 6.940 -7.119 31.473 1.00 22.83 ? 10 G A N3 1
1410
+ ATOM 218 C C4 . G A 1 10 ? 6.137 -8.094 31.954 1.00 23.48 ? 10 G A C4 1
1411
+ ATOM 219 P P . C A 1 11 ? 7.159 -11.289 26.785 1.00 31.24 ? 11 C A P 1
1412
+ ATOM 220 O OP1 . C A 1 11 ? 7.140 -11.612 25.333 1.00 32.49 ? 11 C A OP1 1
1413
+ ATOM 221 O OP2 . C A 1 11 ? 7.150 -12.385 27.785 1.00 33.55 ? 11 C A OP2 1
1414
+ ATOM 222 O "O5'" . C A 1 11 ? 8.415 -10.354 27.070 1.00 29.27 ? 11 C A "O5'" 1
1415
+ ATOM 223 C "C5'" . C A 1 11 ? 8.758 -9.317 26.174 1.00 24.62 ? 11 C A "C5'" 1
1416
+ ATOM 224 C "C4'" . C A 1 11 ? 9.816 -8.448 26.788 1.00 24.53 ? 11 C A "C4'" 1
1417
+ ATOM 225 O "O4'" . C A 1 11 ? 9.300 -7.924 28.026 1.00 20.79 ? 11 C A "O4'" 1
1418
+ ATOM 226 C "C3'" . C A 1 11 ? 11.109 -9.141 27.197 1.00 26.65 ? 11 C A "C3'" 1
1419
+ ATOM 227 O "O3'" . C A 1 11 ? 12.020 -9.194 26.107 1.00 32.83 ? 11 C A "O3'" 1
1420
+ ATOM 228 C "C2'" . C A 1 11 ? 11.647 -8.175 28.227 1.00 24.08 ? 11 C A "C2'" 1
1421
+ ATOM 229 O "O2'" . C A 1 11 ? 12.197 -7.041 27.600 1.00 27.54 ? 11 C A "O2'" 1
1422
+ ATOM 230 C "C1'" . C A 1 11 ? 10.362 -7.780 28.947 1.00 22.63 ? 11 C A "C1'" 1
1423
+ ATOM 231 N N1 . C A 1 11 ? 10.081 -8.624 30.111 1.00 19.69 ? 11 C A N1 1
1424
+ ATOM 232 C C2 . C A 1 11 ? 10.818 -8.430 31.273 1.00 19.50 ? 11 C A C2 1
1425
+ ATOM 233 O O2 . C A 1 11 ? 11.746 -7.618 31.263 1.00 20.45 ? 11 C A O2 1
1426
+ ATOM 234 N N3 . C A 1 11 ? 10.513 -9.139 32.375 1.00 22.29 ? 11 C A N3 1
1427
+ ATOM 235 C C4 . C A 1 11 ? 9.531 -10.035 32.334 1.00 21.06 ? 11 C A C4 1
1428
+ ATOM 236 N N4 . C A 1 11 ? 9.240 -10.695 33.457 1.00 23.01 ? 11 C A N4 1
1429
+ ATOM 237 C C5 . C A 1 11 ? 8.798 -10.293 31.142 1.00 21.07 ? 11 C A C5 1
1430
+ ATOM 238 C C6 . C A 1 11 ? 9.102 -9.571 30.065 1.00 19.45 ? 11 C A C6 1
1431
+ ATOM 239 P P . C A 1 12 ? 13.012 -10.448 25.940 1.00 34.10 ? 12 C A P 1
1432
+ ATOM 240 O OP1 . C A 1 12 ? 13.499 -10.318 24.547 1.00 37.79 ? 12 C A OP1 1
1433
+ ATOM 241 O OP2 . C A 1 12 ? 12.312 -11.693 26.361 1.00 34.30 ? 12 C A OP2 1
1434
+ ATOM 242 O "O5'" . C A 1 12 ? 14.209 -10.144 26.949 1.00 30.68 ? 12 C A "O5'" 1
1435
+ ATOM 243 C "C5'" . C A 1 12 ? 14.890 -8.899 26.906 1.00 28.74 ? 12 C A "C5'" 1
1436
+ ATOM 244 C "C4'" . C A 1 12 ? 15.731 -8.730 28.139 1.00 31.14 ? 12 C A "C4'" 1
1437
+ ATOM 245 O "O4'" . C A 1 12 ? 14.877 -8.588 29.295 1.00 31.22 ? 12 C A "O4'" 1
1438
+ ATOM 246 C "C3'" . C A 1 12 ? 16.610 -9.915 28.486 1.00 32.64 ? 12 C A "C3'" 1
1439
+ ATOM 247 O "O3'" . C A 1 12 ? 17.816 -9.849 27.737 1.00 36.95 ? 12 C A "O3'" 1
1440
+ ATOM 248 C "C2'" . C A 1 12 ? 16.867 -9.702 29.971 1.00 31.74 ? 12 C A "C2'" 1
1441
+ ATOM 249 O "O2'" . C A 1 12 ? 17.914 -8.771 30.195 1.00 30.97 ? 12 C A "O2'" 1
1442
+ ATOM 250 C "C1'" . C A 1 12 ? 15.527 -9.123 30.431 1.00 27.88 ? 12 C A "C1'" 1
1443
+ ATOM 251 N N1 . C A 1 12 ? 14.616 -10.090 31.041 1.00 25.31 ? 12 C A N1 1
1444
+ ATOM 252 C C2 . C A 1 12 ? 14.709 -10.334 32.417 1.00 25.70 ? 12 C A C2 1
1445
+ ATOM 253 O O2 . C A 1 12 ? 15.627 -9.812 33.055 1.00 26.57 ? 12 C A O2 1
1446
+ ATOM 254 N N3 . C A 1 12 ? 13.805 -11.144 33.010 1.00 23.98 ? 12 C A N3 1
1447
+ ATOM 255 C C4 . C A 1 12 ? 12.851 -11.722 32.276 1.00 23.46 ? 12 C A C4 1
1448
+ ATOM 256 N N4 . C A 1 12 ? 11.941 -12.479 32.912 1.00 20.35 ? 12 C A N4 1
1449
+ ATOM 257 C C5 . C A 1 12 ? 12.775 -11.541 30.860 1.00 22.41 ? 12 C A C5 1
1450
+ ATOM 258 C C6 . C A 1 12 ? 13.668 -10.723 30.291 1.00 21.27 ? 12 C A C6 1
1451
+ HETATM 259 MN MN . MN B 2 . ? 1.865 -10.733 36.086 1.00 30.78 ? 13 MN A MN 1
1452
+ HETATM 260 O O . HOH C 3 . ? -1.924 0.231 36.097 1.00 41.11 ? 14 HOH A O 1
1453
+ HETATM 261 O O . HOH C 3 . ? 2.317 4.946 34.825 1.00 19.24 ? 15 HOH A O 1
1454
+ HETATM 262 O O . HOH C 3 . ? -1.601 -8.150 44.082 1.00 27.75 ? 16 HOH A O 1
1455
+ HETATM 263 O O . HOH C 3 . ? -2.557 0.735 43.083 1.00 64.27 ? 17 HOH A O 1
1456
+ HETATM 264 O O . HOH C 3 . ? -6.675 15.895 34.754 1.00 37.95 ? 18 HOH A O 1
1457
+ HETATM 265 O O . HOH C 3 . ? 7.445 -1.974 38.665 1.00 45.31 ? 19 HOH A O 1
1458
+ HETATM 266 O O . HOH C 3 . ? 9.238 -4.311 29.349 1.00 29.71 ? 20 HOH A O 1
1459
+ HETATM 267 O O . HOH C 3 . ? 6.620 0.399 36.783 1.00 28.62 ? 21 HOH A O 1
1460
+ HETATM 268 O O . HOH C 3 . ? 1.444 -1.030 38.018 1.00 37.31 ? 22 HOH A O 1
1461
+ HETATM 269 O O . HOH C 3 . ? -6.054 -7.044 38.834 1.00 29.44 ? 23 HOH A O 1
1462
+ HETATM 270 O O . HOH C 3 . ? -0.165 -11.080 35.269 1.00 67.96 ? 24 HOH A O 1
1463
+ HETATM 271 O O . HOH C 3 . ? -1.147 1.114 38.461 1.00 83.58 ? 25 HOH A O 1
1464
+ HETATM 272 O O . HOH C 3 . ? -3.423 14.238 34.504 1.00 53.95 ? 26 HOH A O 1
1465
+ HETATM 273 O O . HOH C 3 . ? 1.104 -12.873 34.112 1.00 56.02 ? 27 HOH A O 1
1466
+ HETATM 274 O O . HOH C 3 . ? 5.059 -9.370 38.761 1.00 54.39 ? 28 HOH A O 1
1467
+ HETATM 275 O O . HOH C 3 . ? 2.562 -8.970 36.953 1.00 28.58 ? 29 HOH A O 1
1468
+ HETATM 276 O O . HOH C 3 . ? 6.852 0.741 40.432 1.00 52.15 ? 30 HOH A O 1
1469
+ HETATM 277 O O . HOH C 3 . ? 0.770 -13.973 38.828 1.00 51.30 ? 31 HOH A O 1
1470
+ #
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